CID 60629

114436-47-4

Structural Information

Molecular Formula
C16H24ClN3O3S2
SMILES
CCN(CC)CCSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N2CCNC2=O
InChI
InChI=1S/C16H24ClN3O3S2/c1-4-19(5-2)8-9-24-14-11-13(17)12(3)10-15(14)25(22,23)20-7-6-18-16(20)21/h10-11H,4-9H2,1-3H3,(H,18,21)
InChIKey
LVSSTRKYUOQHNG-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-[2-(diethylamino)ethylsulfanyl]-5-methylphenyl]sulfonylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.09476 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10204 192.4
[M+Na]+ 428.08398 199.6
[M-H]- 404.08748 196.2
[M+NH4]+ 423.12858 204.1
[M+K]+ 444.05792 192.9
[M+H-H2O]+ 388.09202 186.0
[M+HCOO]- 450.09296 195.8
[M+CH3COO]- 464.10861 219.9
[M+Na-2H]- 426.06943 188.5
[M]+ 405.09421 197.9
[M]- 405.09531 197.9
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.