CID 983118

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-2,4,6-trimethylbenzenesulfonamide

Structural Information

Molecular Formula
C20H23N3O3S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C20H23N3O3S/c1-13-11-14(2)19(15(3)12-13)27(25,26)21-18-16(4)22(5)23(20(18)24)17-9-7-6-8-10-17/h6-12,21H,1-5H3
InChIKey
PSBXNNTYAYXDDR-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14603 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15331 192.5
[M+Na]+ 408.13525 204.0
[M-H]- 384.13875 201.8
[M+NH4]+ 403.17985 204.5
[M+K]+ 424.10919 197.7
[M+H-H2O]+ 368.14329 184.1
[M+HCOO]- 430.14423 209.8
[M+CH3COO]- 444.15988 222.5
[M+Na-2H]- 406.12070 191.2
[M]+ 385.14548 198.9
[M]- 385.14658 198.9
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.