CID 3901842

Ag-09/1

Structural Information

Molecular Formula
C16H14N4O4S
SMILES
COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N4O4S/c1-24-12-6-7-13-14(8-12)19-16(18-13)25-9-15(21)17-10-2-4-11(5-3-10)20(22)23/h2-8H,9H2,1H3,(H,17,21)(H,18,19)
InChIKey
LYQDSNOFTIZWAX-UHFFFAOYSA-N
Compound name
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

358.07358 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08086 176.5
[M+Na]+ 381.06280 183.3
[M-H]- 357.06630 181.1
[M+NH4]+ 376.10740 187.8
[M+K]+ 397.03674 173.8
[M+H-H2O]+ 341.07084 172.4
[M+HCOO]- 403.07178 194.5
[M+CH3COO]- 417.08743 204.8
[M+Na-2H]- 379.04825 182.3
[M]+ 358.07303 178.5
[M]- 358.07413 178.5
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.