CID 1535

P-nitrophenyl-2-aminothiazol-5-ylsulphone

Structural Information

Molecular Formula
C9H7N3O4S2
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)N
InChI
InChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)
InChIKey
GKTKCGAOXFHFTD-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

70
Patents

284.9878 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.99508 157.5
[M+Na]+ 307.97702 165.5
[M-H]- 283.98052 163.0
[M+NH4]+ 303.02162 172.4
[M+K]+ 323.95096 156.3
[M+H-H2O]+ 267.98506 155.0
[M+HCOO]- 329.98600 172.5
[M+CH3COO]- 344.00165 188.3
[M+Na-2H]- 305.96247 162.5
[M]+ 284.98725 156.4
[M]- 284.98835 156.4
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