PubChemLite - 3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-n-(dimethoxymethyl)-4-fluoro-1h-indole-7-carboxamide- (C25H25FN4O6)

Structural Information

Molecular Formula

SMILES

COC(NC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H25FN4O6/c1-35-25(36-2)28-22(32)16-8-9-18(26)19-17(14-27-20(16)19)21(31)24(34)30-12-10-29(11-13-30)23(33)15-6-4-3-5-7-15/h3-9,14,25,27H,10-13H2,1-2H3,(H,28,32)

InChIKey

HAXKMYZWRSYMFD-UHFFFAOYSA-N

Compound name

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-N-(dimethoxymethyl)-4-fluoro-1H-indole-7-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	497.18308	212.1
[M+Na]+	519.16502	214.6
[M-H]-	495.16852	215.9
[M+NH4]+	514.20962	215.3
[M+K]+	535.13896	211.3
[M+H-H2O]+	479.17306	200.4
[M+HCOO]-	541.17400	222.8
[M+CH3COO]-	555.18965	239.8
[M+Na-2H]-	517.15047	207.9
[M]+	496.17525	211.1
[M]-	496.17635	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

497.18308

212.1

[M+Na]+

519.16502

214.6

[M-H]-

495.16852

215.9

[M+NH4]+

514.20962

215.3

[M+K]+

535.13896

211.3

[M+H-H2O]+

479.17306

200.4

[M+HCOO]-

541.17400

222.8

[M+CH3COO]-

555.18965

239.8

[M+Na-2H]-

517.15047

207.9

[M]+

496.17525

211.1

[M]-

496.17635

211.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-n-(dimethoxymethyl)-4-fluoro-1h-indole-7-carboxamide-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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