PubChemLite - Azd-1134 (C28H32FN5O4)

Structural Information

Molecular Formula

SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=C(O3)C(=CC(=C4)F)N5CCN(CC5)C

InChI

InChI=1S/C28H32FN5O4/c1-3-26(36)34-14-12-32(13-15-34)21-6-4-20(5-7-21)30-28(37)25-18-24(35)22-16-19(29)17-23(27(22)38-25)33-10-8-31(2)9-11-33/h4-7,16-18H,3,8-15H2,1-2H3,(H,30,37)

InChIKey

CKBARMWSFIJZTL-UHFFFAOYSA-N

Compound name

6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-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]+	522.25112	231.6
[M+Na]+	544.23306	234.8
[M-H]-	520.23656	237.4
[M+NH4]+	539.27766	229.8
[M+K]+	560.20700	228.8
[M+H-H2O]+	504.24110	215.5
[M+HCOO]-	566.24204	236.9
[M+CH3COO]-	580.25769	234.7
[M+Na-2H]-	542.21851	227.3
[M]+	521.24329	225.8
[M]-	521.24439	225.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.25112

231.6

[M+Na]+

544.23306

234.8

[M-H]-

520.23656

237.4

[M+NH4]+

539.27766

229.8

[M+K]+

560.20700

228.8

[M+H-H2O]+

504.24110

215.5

[M+HCOO]-

566.24204

236.9

[M+CH3COO]-

580.25769

234.7

[M+Na-2H]-

542.21851

227.3

[M]+

521.24329

225.8

[M]-

521.24439

225.8

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

Azd-1134

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe