PubChemLite - Schembl12215268 (C26H20FN7O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C2=NN=CC3=CC=CC=C32)C(=O)C(=O)C4=CNC5=C4C(=CN=C5C6=CC=CC=N6)F

InChI

InChI=1S/C26H20FN7O2/c27-19-15-30-22(20-7-3-4-8-28-20)23-21(19)18(14-29-23)24(35)26(36)34-11-9-33(10-12-34)25-17-6-2-1-5-16(17)13-31-32-25/h1-8,13-15,29H,9-12H2

InChIKey

YUNZXSZKAKGJMR-UHFFFAOYSA-N

Compound name

1-(4-fluoro-7-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(4-phthalazin-1-ylpiperazin-1-yl)ethane-1,2-dione

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]+	482.17354	215.1
[M+Na]+	504.15548	222.3
[M-H]-	480.15898	218.0
[M+NH4]+	499.20008	214.4
[M+K]+	520.12942	211.6
[M+H-H2O]+	464.16352	199.0
[M+HCOO]-	526.16446	220.9
[M+CH3COO]-	540.18011	219.1
[M+Na-2H]-	502.14093	215.2
[M]+	481.16571	210.7
[M]-	481.16681	210.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.17354

215.1

[M+Na]+

504.15548

222.3

[M-H]-

480.15898

218.0

[M+NH4]+

499.20008

214.4

[M+K]+

520.12942

211.6

[M+H-H2O]+

464.16352

199.0

[M+HCOO]-

526.16446

220.9

[M+CH3COO]-

540.18011

219.1

[M+Na-2H]-

502.14093

215.2

[M]+

481.16571

210.7

[M]-

481.16681

210.7

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

Schembl12215268

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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