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]+ 311.113876 166.7
[M+Na]+ 333.095818 172.8
[M-H]- 309.099324 171.0
[M+NH4]+ 328.140423 179.1
[M+K]+ 349.069758 163.6
[M+H-H2O]+ 293.103860 162.0
[M+HCOO]- 355.104801 189.6
[M+CH3COO]- 369.120451 197.9
[M+Na-2H]- 331.081266 174.9
[M]+ 310.10605142 165.2
[M]- 310.10714858 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.