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

152
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 148.3
[M+Na]+ 272.01003 159.8
[M+NH4]+ 267.05463 156.0
[M+K]+ 287.98397 157.1
[M-H]- 248.01353 152.6
[M+Na-2H]- 269.99548 155.5
[M]+ 249.02026 151.2
[M]- 249.02136 151.2
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