CID 60625

114436-45-2

Structural Information

Molecular Formula
C14H20ClN3O3S2
SMILES
CC1=CC(=C(C=C1Cl)SCCN(C)C)S(=O)(=O)N2CCNC2=O
InChI
InChI=1S/C14H20ClN3O3S2/c1-10-8-13(23(20,21)18-5-4-16-14(18)19)12(9-11(10)15)22-7-6-17(2)3/h8-9H,4-7H2,1-3H3,(H,16,19)
InChIKey
PEYCHRUFSJOUBX-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-5-methylphenyl]sulfonylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.06348 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07076 184.3
[M+Na]+ 400.05270 192.4
[M-H]- 376.05620 188.6
[M+NH4]+ 395.09730 197.1
[M+K]+ 416.02664 186.2
[M+H-H2O]+ 360.06074 178.3
[M+HCOO]- 422.06168 188.4
[M+CH3COO]- 436.07733 214.1
[M+Na-2H]- 398.03815 181.2
[M]+ 377.06293 189.2
[M]- 377.06403 189.2
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.