CID 47359

64398-84-1

Structural Information

Molecular Formula
C10H7N3O3S
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-6H,(H,11,12,14)
InChIKey
TYUHMMUUMWZPDB-UHFFFAOYSA-N
Compound name
N-(5-nitro-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

166
Patents

249.02081 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02809 150.2
[M+Na]+ 272.01003 156.8
[M-H]- 248.01353 156.2
[M+NH4]+ 267.05463 166.6
[M+K]+ 287.98397 149.6
[M+H-H2O]+ 232.01807 147.0
[M+HCOO]- 294.01901 171.6
[M+CH3COO]- 308.03466 184.7
[M+Na-2H]- 269.99548 155.3
[M]+ 249.02026 149.1
[M]- 249.02136 149.1
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