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]+ 327.108776 170.9
[M+Na]+ 349.090718 178.0
[M-H]- 325.094224 176.8
[M+NH4]+ 344.135323 183.4
[M+K]+ 365.064658 170.2
[M+H-H2O]+ 309.098760 165.8
[M+HCOO]- 371.099701 195.3
[M+CH3COO]- 385.115351 203.8
[M+Na-2H]- 347.076166 178.8
[M]+ 326.10095142 172.7
[M]- 326.10204858 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.