CID 11373432

Azd6703

Structural Information

Molecular Formula
C24H27N5O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)C
InChI
InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)
InChIKey
ZMAZXHICVRYLQN-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

144
Patents

417.21646 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22374 213.9
[M+Na]+ 440.20568 221.8
[M-H]- 416.20918 221.3
[M+NH4]+ 435.25028 214.4
[M+K]+ 456.17962 213.0
[M+H-H2O]+ 400.21372 201.1
[M+HCOO]- 462.21466 227.2
[M+CH3COO]- 476.23031 219.8
[M+Na-2H]- 438.19113 213.4
[M]+ 417.21591 212.9
[M]- 417.21701 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe