CID 155543840

Chembl4525803

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
C1[C@@H](NC(=S)N1CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2S/c14-10(15)7-13-6-9(12-11(13)16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKey
BBZLFCNNUNCGQT-SECBINFHSA-N
Compound name
2-[(4S)-4-phenyl-2-sulfanylideneimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 152.9
[M+Na]+ 259.05117 162.9
[M+NH4]+ 254.09577 159.7
[M+K]+ 275.02511 157.7
[M-H]- 235.05467 153.6
[M+Na-2H]- 257.03662 156.7
[M]+ 236.06140 154.6
[M]- 236.06250 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

literature stripe

Patent stripe

No patent data available for this compound.