CID 9587940

3-(2-(2-dimethylaminoacetamido)-4-n-propylthio-phenyl)-2-methoxycarbonyliminothiazolidin-4-one

Structural Information

Molecular Formula
C18H24N4O4S2
SMILES
CCCSC1=CC(=C(C=C1)N\2C(=O)CS/C2=N\C(=O)OC)NC(=O)CN(C)C
InChI
InChI=1S/C18H24N4O4S2/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/h6-7,9H,5,8,10-11H2,1-4H3,(H,19,23)/b20-17-
InChIKey
XZZAFKLAZKBGFW-JZJYNLBNSA-N
Compound name
methyl (NZ)-N-[3-[2-[[2-(dimethylamino)acetyl]amino]-4-propylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1239 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13118 198.8
[M+Na]+ 447.11312 204.0
[M+NH4]+ 442.15772 203.1
[M+K]+ 463.08706 198.2
[M-H]- 423.11662 200.8
[M+Na-2H]- 445.09857 200.7
[M]+ 424.12335 200.4
[M]- 424.12445 200.4
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.