CID 9587933

3-(4-ethylthio-2-(2-dimethylaminoacetamido)phenyl)-2-methoxycarbonyliminothiazolidin-4-one

Structural Information

Molecular Formula
C17H22N4O4S2
SMILES
CCSC1=CC(=C(C=C1)N\2C(=O)CS/C2=N\C(=O)OC)NC(=O)CN(C)C
InChI
InChI=1S/C17H22N4O4S2/c1-5-26-11-6-7-13(12(8-11)18-14(22)9-20(2)3)21-15(23)10-27-16(21)19-17(24)25-4/h6-8H,5,9-10H2,1-4H3,(H,18,22)/b19-16-
InChIKey
BZCKVKPLPRMZSB-MNDPQUGUSA-N
Compound name
methyl (NZ)-N-[3-[2-[[2-(dimethylamino)acetyl]amino]-4-ethylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.10825 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11553 194.9
[M+Na]+ 433.09747 200.3
[M+NH4]+ 428.14207 199.4
[M+K]+ 449.07141 194.7
[M-H]- 409.10097 197.0
[M+Na-2H]- 431.08292 197.0
[M]+ 410.10770 196.5
[M]- 410.10880 196.5
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.