CID 230363

4-nitro-n-(2-thiazolyl)benzamide

Structural Information

Molecular Formula
C10H7N3O3S
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=CS2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O3S/c14-9(12-10-11-5-6-17-10)7-1-3-8(4-2-7)13(15)16/h1-6H,(H,11,12,14)
InChIKey
SXVKIMCWFQAXPM-UHFFFAOYSA-N
Compound name
4-nitro-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

17
Patents

249.02081 Da
Monoisotopic Mass

2.2
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