CID 60627

114436-46-3

Structural Information

Molecular Formula
C15H22ClN3O3S2
SMILES
CC1=CC(=C(C=C1Cl)SCCCN(C)C)S(=O)(=O)N2CCNC2=O
InChI
InChI=1S/C15H22ClN3O3S2/c1-11-9-14(24(21,22)19-7-5-17-15(19)20)13(10-12(11)16)23-8-4-6-18(2)3/h9-10H,4-8H2,1-3H3,(H,17,20)
InChIKey
ZOGGCLLEKJMLTG-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-[3-(dimethylamino)propylsulfanyl]-5-methylphenyl]sulfonylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0791 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08638 188.3
[M+Na]+ 414.06832 196.0
[M-H]- 390.07182 192.4
[M+NH4]+ 409.11292 200.6
[M+K]+ 430.04226 189.6
[M+H-H2O]+ 374.07636 182.1
[M+HCOO]- 436.07730 192.1
[M+CH3COO]- 450.09295 217.0
[M+Na-2H]- 412.05377 184.9
[M]+ 391.07855 193.5
[M]- 391.07965 193.5
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.