CID 983118

301228-94-4

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]+ 386.153306 192.5
[M+Na]+ 408.135248 204.0
[M-H]- 384.138754 201.8
[M+NH4]+ 403.179853 204.5
[M+K]+ 424.109188 197.7
[M+H-H2O]+ 368.143290 184.1
[M+HCOO]- 430.144231 209.8
[M+CH3COO]- 444.159881 222.5
[M+Na-2H]- 406.120696 191.2
[M]+ 385.14548142 198.9
[M]- 385.14657858 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.