CID 3863969

5-amino-2-chloro-n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)benzene-1-sulfonamide

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]+ 393.07826 191.5
[M+Na]+ 415.06020 203.0
[M-H]- 391.06370 200.2
[M+NH4]+ 410.10480 203.1
[M+K]+ 431.03414 195.6
[M+H-H2O]+ 375.06824 183.5
[M+HCOO]- 437.06918 205.4
[M+CH3COO]- 451.08483 220.7
[M+Na-2H]- 413.04565 191.6
[M]+ 392.07043 196.8
[M]- 392.07153 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.