CID 6446106

N-(((2-(1h-benzimidazol-1-yl)ethyl)amino)carbonyl)-3-phenyl-2-propenamide

Structural Information

Molecular Formula
C19H18N4O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC(=O)NCCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C19H18N4O2/c24-18(11-10-15-6-2-1-3-7-15)22-19(25)20-12-13-23-14-21-16-8-4-5-9-17(16)23/h1-11,14H,12-13H2,(H2,20,22,24,25)/b11-10+
InChIKey
FIKGTTJGKAPNTE-ZHACJKMWSA-N
Compound name
(E)-N-[2-(benzimidazol-1-yl)ethylcarbamoyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 178.1
[M+Na]+ 357.13219 184.2
[M-H]- 333.13569 183.1
[M+NH4]+ 352.17679 190.8
[M+K]+ 373.10613 178.5
[M+H-H2O]+ 317.14023 168.1
[M+HCOO]- 379.14117 201.3
[M+CH3COO]- 393.15682 211.5
[M+Na-2H]- 355.11764 183.3
[M]+ 334.14242 179.1
[M]- 334.14352 179.1
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.