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]+ 264.04375 154.7
[M+Na]+ 286.02569 161.7
[M-H]- 262.02919 160.4
[M+NH4]+ 281.07029 170.6
[M+K]+ 301.99963 153.8
[M+H-H2O]+ 246.03373 151.7
[M+HCOO]- 308.03467 175.1
[M+CH3COO]- 322.05032 188.8
[M+Na-2H]- 284.01114 157.8
[M]+ 263.03592 153.5
[M]- 263.03702 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.