CID 111889

Einecs 273-333-4

Structural Information

Molecular Formula
C23H29ClN4O3S
SMILES
CN(C)CCCNC(=O)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN4O3S/c1-27(2)15-3-14-25-23(29)13-17-32(30,31)21-10-8-20(9-11-21)28-16-12-22(26-28)18-4-6-19(24)7-5-18/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKey
GLHJZDBFFXSSCS-UHFFFAOYSA-N
Compound name
3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[3-(dimethylamino)propyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.1649 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.17218 212.4
[M+Na]+ 499.15412 222.8
[M+NH4]+ 494.19872 217.5
[M+K]+ 515.12806 216.1
[M-H]- 475.15762 216.3
[M+Na-2H]- 497.13957 219.0
[M]+ 476.16435 215.5
[M]- 476.16545 215.5
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.