CID 155543791

Chembl4525785

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1[C@@H](NC(=S)N1CC=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2OS/c14-7-6-13-8-10(12-11(13)15)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,12,15)/t10-/m1/s1
InChIKey
HSROVOWQWMTEIM-SNVBAGLBSA-N
Compound name
2-[(4S)-4-phenyl-2-sulfanylideneimidazolidin-1-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 148.3
[M+Na]+ 243.056248 156.8
[M-H]- 219.059754 151.3
[M+NH4]+ 238.100853 165.9
[M+K]+ 259.030188 151.7
[M+H-H2O]+ 203.064290 141.3
[M+HCOO]- 265.065231 163.2
[M+CH3COO]- 279.080881 182.7
[M+Na-2H]- 241.041696 148.2
[M]+ 220.06648142 146.7
[M]- 220.06757858 146.7
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

No patent data available for this compound.