CID 6105764

Nsc645069

Structural Information

Molecular Formula
C23H19N3O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C23H19N3O/c27-22(15-10-17-6-2-1-3-7-17)18-11-13-19(14-12-18)24-16-23-25-20-8-4-5-9-21(20)26-23/h1-15,24H,16H2,(H,25,26)/b15-10+
InChIKey
KIMXFCUSPBTKHJ-XNTDXEJSSA-N
Compound name
(E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1528 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16008 184.3
[M+Na]+ 376.14202 191.2
[M-H]- 352.14552 191.0
[M+NH4]+ 371.18662 195.4
[M+K]+ 392.11596 182.5
[M+H-H2O]+ 336.15006 173.6
[M+HCOO]- 398.15100 205.2
[M+CH3COO]- 412.16665 193.7
[M+Na-2H]- 374.12747 188.8
[M]+ 353.15225 183.3
[M]- 353.15335 183.3
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

No patent data available for this compound.