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]+ 237.105606 153.3
[M+Na]+ 259.087548 159.8
[M-H]- 235.091054 157.4
[M+NH4]+ 254.132153 171.3
[M+K]+ 275.061488 155.5
[M+H-H2O]+ 219.095590 146.6
[M+HCOO]- 281.096531 168.8
[M+CH3COO]- 295.112181 188.9
[M+Na-2H]- 257.072996 152.5
[M]+ 236.09778142 150.9
[M]- 236.09887858 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.