CID 63651

91045-33-9

Structural Information

Molecular Formula
C36H35N5O
SMILES
CC1CCN(CC1)CN2C3=CC=CC=C3N=C2C(CC4=CC=CC=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C36H35N5O/c1-26-20-22-39(23-21-26)25-40-32-19-11-10-18-31(32)38-35(40)33(24-27-12-4-2-5-13-27)41-34(28-14-6-3-7-15-28)37-30-17-9-8-16-29(30)36(41)42/h2-19,26,33H,20-25H2,1H3
InChIKey
RQUFQMLAALMVFQ-UHFFFAOYSA-N
Compound name
3-[1-[1-[(4-methylpiperidin-1-yl)methyl]benzimidazol-2-yl]-2-phenylethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.2842 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.29148 240.8
[M+Na]+ 576.27342 260.6
[M+NH4]+ 571.31802 247.7
[M+K]+ 592.24736 250.1
[M-H]- 552.27692 250.7
[M+Na-2H]- 574.25887 252.1
[M]+ 553.28365 246.8
[M]- 553.28475 246.8
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.