CID 69433

Sulfasomizole

Structural Information

Molecular Formula
C10H11N3O2S2
SMILES
CC1=NSC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O2S2/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
InChIKey
JVYKJZPZFIUYAB-UHFFFAOYSA-N
Compound name
4-amino-N-(3-methyl-1,2-thiazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2791
Patents

269.02927 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03655 156.8
[M+Na]+ 292.01849 166.5
[M-H]- 268.02199 162.4
[M+NH4]+ 287.06309 173.7
[M+K]+ 307.99243 160.7
[M+H-H2O]+ 252.02653 150.2
[M+HCOO]- 314.02747 171.8
[M+CH3COO]- 328.04312 195.4
[M+Na-2H]- 290.00394 159.2
[M]+ 269.02872 158.2
[M]- 269.02982 158.2
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