CID 3025507

Benzamide, 4-methoxy-n-((6-nitro-1h-benzimidazol-1-yl)methyl)-

Structural Information

Molecular Formula
C16H14N4O4
SMILES
COC1=CC=C(C=C1)C(=O)NCN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O4/c1-24-13-5-2-11(3-6-13)16(21)18-10-19-9-17-14-7-4-12(20(22)23)8-15(14)19/h2-9H,10H2,1H3,(H,18,21)
InChIKey
YCNHYZJONVYCSB-UHFFFAOYSA-N
Compound name
4-methoxy-N-[(6-nitrobenzimidazol-1-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 170.9
[M+Na]+ 349.09072 178.0
[M-H]- 325.09422 176.8
[M+NH4]+ 344.13532 183.4
[M+K]+ 365.06466 170.2
[M+H-H2O]+ 309.09876 165.8
[M+HCOO]- 371.09970 195.3
[M+CH3COO]- 385.11535 203.8
[M+Na-2H]- 347.07617 178.8
[M]+ 326.10095 172.7
[M]- 326.10205 172.7
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.