CID 9587934

3-(2-(2-diethylaminoacetamido)-4-phenylthio-phenyl)-2-methoxycarbonyliminothiazolidin-4-one

Structural Information

Molecular Formula
C23H26N4O4S2
SMILES
CCN(CC)CC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N\3C(=O)CS/C3=N\C(=O)OC
InChI
InChI=1S/C23H26N4O4S2/c1-4-26(5-2)14-20(28)24-18-13-17(33-16-9-7-6-8-10-16)11-12-19(18)27-21(29)15-32-22(27)25-23(30)31-3/h6-13H,4-5,14-15H2,1-3H3,(H,24,28)/b25-22-
InChIKey
YUYOGORELPFZKA-LVWGJNHUSA-N
Compound name
methyl (NZ)-N-[3-[2-[[2-(diethylamino)acetyl]amino]-4-phenylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.13956 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14684 215.6
[M+Na]+ 509.12878 218.9
[M-H]- 485.13228 225.3
[M+NH4]+ 504.17338 224.2
[M+K]+ 525.10272 214.1
[M+H-H2O]+ 469.13682 205.9
[M+HCOO]- 531.13776 228.6
[M+CH3COO]- 545.15341 244.7
[M+Na-2H]- 507.11423 212.0
[M]+ 486.13901 220.8
[M]- 486.14011 220.8
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.