CID 24697655

N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CC1=C(C=C(C=C1)NC(=O)C2CSCN2)C
InChI
InChI=1S/C12H16N2OS/c1-8-3-4-10(5-9(8)2)14-12(15)11-6-16-7-13-11/h3-5,11,13H,6-7H2,1-2H3,(H,14,15)
InChIKey
GNSYAICODWDDRV-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 153.3
[M+Na]+ 259.08755 159.8
[M-H]- 235.09105 157.4
[M+NH4]+ 254.13215 171.3
[M+K]+ 275.06149 155.5
[M+H-H2O]+ 219.09559 146.6
[M+HCOO]- 281.09653 168.8
[M+CH3COO]- 295.11218 188.9
[M+Na-2H]- 257.07300 152.5
[M]+ 236.09778 150.9
[M]- 236.09888 150.9
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.