CID 46909666

Azd-4316

Structural Information

Molecular Formula
C25H31N5O
SMILES
CC(C)CCN1C2=C(C=C(C=C2)CN)N=C1CN3C4=CC=CC=C4CN(C3=O)C5CC5
InChI
InChI=1S/C25H31N5O/c1-17(2)11-12-28-23-10-7-18(14-26)13-21(23)27-24(28)16-30-22-6-4-3-5-19(22)15-29(25(30)31)20-8-9-20/h3-7,10,13,17,20H,8-9,11-12,14-16,26H2,1-2H3
InChIKey
SIFAULUPFCKXAX-UHFFFAOYSA-N
Compound name
1-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-cyclopropyl-4H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

417.25287 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.26015 204.7
[M+Na]+ 440.24209 220.2
[M+NH4]+ 435.28669 212.0
[M+K]+ 456.21603 214.7
[M-H]- 416.24559 216.2
[M+Na-2H]- 438.22754 212.1
[M]+ 417.25232 211.3
[M]- 417.25342 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe