CID 508440

Chembl325146

Structural Information

Molecular Formula
C17H24N2O3S2
SMILES
CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C(CCSC)C(=O)OC
InChI
InChI=1S/C17H24N2O3S2/c1-18(2)13-7-5-12(6-8-13)16-19(15(20)11-24-16)14(9-10-23-4)17(21)22-3/h5-8,14,16H,9-11H2,1-4H3
InChIKey
PRCOCYPJYLAJGI-UHFFFAOYSA-N
Compound name
methyl 2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.12283 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13011 186.0
[M+Na]+ 391.11205 190.9
[M-H]- 367.11555 191.8
[M+NH4]+ 386.15665 199.9
[M+K]+ 407.08599 187.5
[M+H-H2O]+ 351.12009 178.5
[M+HCOO]- 413.12103 195.6
[M+CH3COO]- 427.13668 219.1
[M+Na-2H]- 389.09750 180.2
[M]+ 368.12228 191.2
[M]- 368.12338 191.2
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.