CID 9587932

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

Structural Information

Molecular Formula
C18H22N4O4S2
SMILES
CN(C)CC(=O)NC1=C(C=CC(=C1)SCC=C)N\2C(=O)CS/C2=N\C(=O)OC
InChI
InChI=1S/C18H22N4O4S2/c1-5-8-27-12-6-7-14(13(9-12)19-15(23)10-21(2)3)22-16(24)11-28-17(22)20-18(25)26-4/h5-7,9H,1,8,10-11H2,2-4H3,(H,19,23)/b20-17-
InChIKey
HBVNOVMFUXIFKU-JZJYNLBNSA-N
Compound name
methyl (NZ)-N-[3-[2-[[2-(dimethylamino)acetyl]amino]-4-prop-2-enylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.10825 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11553 198.5
[M+Na]+ 445.09747 203.7
[M+NH4]+ 440.14207 202.6
[M+K]+ 461.07141 197.9
[M-H]- 421.10097 200.3
[M+Na-2H]- 443.08292 200.3
[M]+ 422.10770 200.0
[M]- 422.10880 200.0
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.