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]+ 221.07431 148.3
[M+Na]+ 243.05625 156.8
[M-H]- 219.05975 151.3
[M+NH4]+ 238.10085 165.9
[M+K]+ 259.03019 151.7
[M+H-H2O]+ 203.06429 141.3
[M+HCOO]- 265.06523 163.2
[M+CH3COO]- 279.08088 182.7
[M+Na-2H]- 241.04170 148.2
[M]+ 220.06648 146.7
[M]- 220.06758 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.