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 152.8
[M+Na]+ 286.02569 164.2
[M+NH4]+ 281.07029 160.1
[M+K]+ 301.99963 161.7
[M-H]- 262.02919 156.9
[M+Na-2H]- 284.01114 159.0
[M]+ 263.03592 155.7
[M]- 263.03702 155.7
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.