CID 6913393

7110md

Structural Information

Molecular Formula
C30H32N4O
SMILES
C1CN(CCN1C/C=C\C2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H32N4O/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25/h1-16H,17-24H2/b12-9-
InChIKey
VIAYOUBFHWUVLW-XFXZXTDPSA-N
Compound name
1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.2576 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.26488 218.2
[M+Na]+ 487.24682 221.7
[M-H]- 463.25032 224.4
[M+NH4]+ 482.29142 221.9
[M+K]+ 503.22076 211.8
[M+H-H2O]+ 447.25486 203.0
[M+HCOO]- 509.25580 230.6
[M+CH3COO]- 523.27145 223.2
[M+Na-2H]- 485.23227 216.5
[M]+ 464.25705 215.5
[M]- 464.25815 215.5
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.