CID 19145

Sulfamidopyrine

Structural Information

Molecular Formula
C12H15N3O4S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCS(=O)(=O)O
InChI
InChI=1S/C12H15N3O4S/c1-9-11(13-8-20(17,18)19)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3,(H,17,18,19)
InChIKey
VRESBCAKEFFDQB-UHFFFAOYSA-N
Compound name
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

792
Patents

297.07834 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08562 166.9
[M+Na]+ 320.06756 177.5
[M+NH4]+ 315.11216 171.9
[M+K]+ 336.04150 173.6
[M-H]- 296.07106 167.2
[M+Na-2H]- 318.05301 171.3
[M]+ 297.07779 168.6
[M]- 297.07889 168.6
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