CID 3863969

380437-38-7

Structural Information

Molecular Formula
C17H17ClN4O3S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)N)Cl
InChI
InChI=1S/C17H17ClN4O3S/c1-11-16(17(23)22(21(11)2)13-6-4-3-5-7-13)20-26(24,25)15-10-12(19)8-9-14(15)18/h3-10,20H,19H2,1-2H3
InChIKey
SOJYHCHZCRXCBQ-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-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

392.07098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.078256 191.5
[M+Na]+ 415.060198 203.0
[M-H]- 391.063704 200.2
[M+NH4]+ 410.104803 203.1
[M+K]+ 431.034138 195.6
[M+H-H2O]+ 375.068240 183.5
[M+HCOO]- 437.069181 205.4
[M+CH3COO]- 451.084831 220.7
[M+Na-2H]- 413.045646 191.6
[M]+ 392.07043142 196.8
[M]- 392.07152858 196.8
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.