CID 3064953

106086-25-3

Structural Information

Molecular Formula
C12H16N2OS2
SMILES
C1C(NC(S1)C2=CC=CC=C2)C(=O)NCCS
InChI
InChI=1S/C12H16N2OS2/c15-11(13-6-7-16)10-8-17-12(14-10)9-4-2-1-3-5-9/h1-5,10,12,14,16H,6-8H2,(H,13,15)
InChIKey
UXWMXJRGXSKSAR-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-sulfanylethyl)-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0704 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07768 157.8
[M+Na]+ 291.05962 163.8
[M-H]- 267.06312 161.2
[M+NH4]+ 286.10422 174.5
[M+K]+ 307.03356 158.1
[M+H-H2O]+ 251.06766 151.3
[M+HCOO]- 313.06860 167.9
[M+CH3COO]- 327.08425 192.4
[M+Na-2H]- 289.04507 156.2
[M]+ 268.06985 156.1
[M]- 268.07095 156.1
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.