CID 64073

91045-34-0

Structural Information

Molecular Formula
C35H33N5O
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3N=C2C(CC4=CC=CC=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C35H33N5O/c41-35-28-18-8-9-19-29(28)36-33(27-16-6-2-7-17-27)40(35)32(24-26-14-4-1-5-15-26)34-37-30-20-10-11-21-31(30)39(34)25-38-22-12-3-13-23-38/h1-2,4-11,14-21,32H,3,12-13,22-25H2
InChIKey
RSJYFZQFFGPSAN-UHFFFAOYSA-N
Compound name
2-phenyl-3-[2-phenyl-1-[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.2685 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.27578 235.8
[M+Na]+ 562.25772 255.5
[M+NH4]+ 557.30232 242.9
[M+K]+ 578.23166 245.1
[M-H]- 538.26122 245.6
[M+Na-2H]- 560.24317 247.6
[M]+ 539.26795 241.8
[M]- 539.26905 241.8
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.