CID 9587936

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

Structural Information

Molecular Formula
C19H26N4O4S2
SMILES
CCCCSC1=CC(=C(C=C1)N\2C(=O)CS/C2=N\C(=O)OC)NC(=O)CN(C)C
InChI
InChI=1S/C19H26N4O4S2/c1-5-6-9-28-13-7-8-15(14(10-13)20-16(24)11-22(2)3)23-17(25)12-29-18(23)21-19(26)27-4/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,20,24)/b21-18-
InChIKey
QGNKXEKCGKSFLD-UZYVYHOESA-N
Compound name
methyl (NZ)-N-[3-[4-butylsulfanyl-2-[[2-(dimethylamino)acetyl]amino]phenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.13956 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14684 202.7
[M+Na]+ 461.12878 207.7
[M+NH4]+ 456.17338 206.9
[M+K]+ 477.10272 201.7
[M-H]- 437.13228 204.7
[M+Na-2H]- 459.11423 204.4
[M]+ 438.13901 204.2
[M]- 438.14011 204.2
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.