CID 3392670

380432-29-1

Structural Information

Molecular Formula
C17H19N5O3S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)N)N
InChI
InChI=1S/C17H19N5O3S/c1-11-16(17(23)22(21(11)2)12-6-4-3-5-7-12)20-26(24,25)13-8-9-14(18)15(19)10-13/h3-10,20H,18-19H2,1-2H3
InChIKey
FBIVHNGOSFMCPF-UHFFFAOYSA-N
Compound name
3,4-diamino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12813 187.4
[M+Na]+ 396.11007 197.4
[M-H]- 372.11357 195.6
[M+NH4]+ 391.15467 198.2
[M+K]+ 412.08401 190.9
[M+H-H2O]+ 356.11811 178.6
[M+HCOO]- 418.11905 206.3
[M+CH3COO]- 432.13470 222.1
[M+Na-2H]- 394.09552 188.1
[M]+ 373.12030 188.9
[M]- 373.12140 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.