CID 682223

N-[2-(1h-benzimidazol-2-yl)ethyl]-4-nitrobenzamide

Structural Information

Molecular Formula
C16H14N4O3
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O3/c21-16(11-5-7-12(8-6-11)20(22)23)17-10-9-15-18-13-3-1-2-4-14(13)19-15/h1-8H,9-10H2,(H,17,21)(H,18,19)
InChIKey
YRKQEVHZBYTOMJ-UHFFFAOYSA-N
Compound name
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

310.1066 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 166.7
[M+Na]+ 333.09582 172.8
[M-H]- 309.09932 171.0
[M+NH4]+ 328.14042 179.1
[M+K]+ 349.06976 163.6
[M+H-H2O]+ 293.10386 162.0
[M+HCOO]- 355.10480 189.6
[M+CH3COO]- 369.12045 197.9
[M+Na-2H]- 331.08127 174.9
[M]+ 310.10605 165.2
[M]- 310.10715 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.