CID 63179

91045-31-7

Structural Information

Molecular Formula
C32H27N5O2
SMILES
C1COCCN1CN2C3=CC=CC=C3N=C2C4=CC=CC=C4N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C32H27N5O2/c38-32-24-12-4-6-14-26(24)33-30(23-10-2-1-3-11-23)37(32)28-16-8-5-13-25(28)31-34-27-15-7-9-17-29(27)36(31)22-35-18-20-39-21-19-35/h1-17H,18-22H2
InChIKey
PCWZRZKWCYRSBU-UHFFFAOYSA-N
Compound name
3-[2-[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]phenyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.2165 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.22378 228.0
[M+Na]+ 536.20572 235.4
[M-H]- 512.20922 238.4
[M+NH4]+ 531.25032 227.6
[M+K]+ 552.17966 225.7
[M+H-H2O]+ 496.21376 210.8
[M+HCOO]- 558.21470 238.2
[M+CH3COO]- 572.23035 233.0
[M+Na-2H]- 534.19117 228.0
[M]+ 513.21595 226.2
[M]- 513.21705 226.2
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

No patent data available for this compound.