CID 11380905

N-[4-(5-nitro-1h-benzimidazol-2-yl)phenyl]acetamide

Structural Information

Molecular Formula
C15H12N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c1-9(20)16-11-4-2-10(3-5-11)15-17-13-7-6-12(19(21)22)8-14(13)18-15/h2-8H,1H3,(H,16,20)(H,17,18)
InChIKey
ODHOWXQIDMYJBA-UHFFFAOYSA-N
Compound name
N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

296.09094 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09822 162.7
[M+Na]+ 319.08016 170.2
[M-H]- 295.08366 167.6
[M+NH4]+ 314.12476 176.1
[M+K]+ 335.05410 161.2
[M+H-H2O]+ 279.08820 158.5
[M+HCOO]- 341.08914 186.0
[M+CH3COO]- 355.10479 196.1
[M+Na-2H]- 317.06561 170.7
[M]+ 296.09039 161.3
[M]- 296.09149 161.3
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

patents stripe