CID 397056

Nsc704338

Structural Information

Molecular Formula
C24H24ClN3O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H24ClN3O2S2/c1-18-14-23(22(31)15-21(18)25)32(29,30)26-24-27(16-19-8-4-2-5-9-19)12-13-28(24)17-20-10-6-3-7-11-20/h2-11,14-15,31H,12-13,16-17H2,1H3
InChIKey
PWFWRTNVGBAAPG-UHFFFAOYSA-N
Compound name
4-chloro-N-(1,3-dibenzylimidazolidin-2-ylidene)-5-methyl-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.09985 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.10713 216.4
[M+Na]+ 508.08907 225.5
[M-H]- 484.09257 227.7
[M+NH4]+ 503.13367 225.3
[M+K]+ 524.06301 216.4
[M+H-H2O]+ 468.09711 207.3
[M+HCOO]- 530.09805 222.8
[M+CH3COO]- 544.11370 224.6
[M+Na-2H]- 506.07452 213.8
[M]+ 485.09930 221.3
[M]- 485.10040 221.3
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.