PubChemLite - 81820-10-2 (C25H30N6O4)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)NC(=O)C)O)CN4CCN(CC4)C

InChI

InChI=1S/C25H30N6O4/c1-17-4-9-22-21(14-17)24(25(34)31(22)16-30-12-10-29(3)11-13-30)28-27-23(33)15-35-20-7-5-19(6-8-20)26-18(2)32/h4-9,14,34H,10-13,15-16H2,1-3H3,(H,26,32)

InChIKey

ZDWARRJUZOYIGJ-UHFFFAOYSA-N

Compound name

2-(4-acetamidophenoxy)-N-[2-hydroxy-5-methyl-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminoacetamide

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]+	479.24013	215.0
[M+Na]+	501.22207	219.5
[M-H]-	477.22557	223.1
[M+NH4]+	496.26667	220.8
[M+K]+	517.19601	215.4
[M+H-H2O]+	461.23011	202.7
[M+HCOO]-	523.23105	234.1
[M+CH3COO]-	537.24670	248.1
[M+Na-2H]-	499.20752	214.7
[M]+	478.23230	217.6
[M]-	478.23340	217.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.24013

215.0

[M+Na]+

501.22207

219.5

[M-H]-

477.22557

223.1

[M+NH4]+

496.26667

220.8

[M+K]+

517.19601

215.4

[M+H-H2O]+

461.23011

202.7

[M+HCOO]-

523.23105

234.1

[M+CH3COO]-

537.24670

248.1

[M+Na-2H]-

499.20752

214.7

[M]+

478.23230

217.6

[M]-

478.23340

217.6

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

81820-10-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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