CID 5415576

Brn 5950137

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
CN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC1=S
InChI
InChI=1S/C11H9ClN2OS/c1-14-10(15)9(13-11(14)16)6-7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,16)/b9-6-
InChIKey
CAXNMSWREBCNQK-TWGQIWQCSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0124 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01968 154.5
[M+Na]+ 275.00162 165.6
[M-H]- 251.00512 158.1
[M+NH4]+ 270.04622 172.2
[M+K]+ 290.97556 158.3
[M+H-H2O]+ 235.00966 148.7
[M+HCOO]- 297.01060 164.7
[M+CH3COO]- 311.02625 187.4
[M+Na-2H]- 272.98707 152.5
[M]+ 252.01185 154.6
[M]- 252.01295 154.6
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.