CID 737179

306935-90-0

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)CC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3S/c12-10(15)5-11-13-9(6-18-11)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H2,12,15)
InChIKey
DIRZWLIATNEVTJ-UHFFFAOYSA-N
Compound name
2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

263.03647 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.043746 154.7
[M+Na]+ 286.025688 161.7
[M-H]- 262.029194 160.4
[M+NH4]+ 281.070293 170.6
[M+K]+ 301.999628 153.8
[M+H-H2O]+ 246.033730 151.7
[M+HCOO]- 308.034671 175.1
[M+CH3COO]- 322.050321 188.8
[M+Na-2H]- 284.011136 157.8
[M]+ 263.03592142 153.5
[M]- 263.03701858 153.5
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.