CID 11632731

Ch-4933468

Structural Information

Molecular Formula
C15H17ClN4O3S2
SMILES
CC1(C(=O)N(C(=S)N1CCCS(=O)(=O)N)C2=CC(=C(C=C2)C#N)Cl)C
InChI
InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)
InChIKey
DSIHXMZSDDJEHM-UHFFFAOYSA-N
Compound name
3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

400.04306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05034 197.0
[M+Na]+ 423.03228 208.9
[M-H]- 399.03578 200.9
[M+NH4]+ 418.07688 209.4
[M+K]+ 439.00622 202.0
[M+H-H2O]+ 383.04032 185.7
[M+HCOO]- 445.04126 198.8
[M+CH3COO]- 459.05691 226.4
[M+Na-2H]- 421.01773 193.9
[M]+ 400.04251 196.4
[M]- 400.04361 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe