CID 381978

Nsc669298

Structural Information

Molecular Formula
C15H19N3O4S
SMILES
CCOC(=O)NNC(=O)C1CSC(N1C(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C15H19N3O4S/c1-3-22-15(21)17-16-13(20)12-9-23-14(18(12)10(2)19)11-7-5-4-6-8-11/h4-8,12,14H,3,9H2,1-2H3,(H,16,20)(H,17,21)
InChIKey
PVAXZHBYAYNHQC-UHFFFAOYSA-N
Compound name
ethyl N-[(3-acetyl-2-phenyl-1,3-thiazolidine-4-carbonyl)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10962 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11690 178.7
[M+Na]+ 360.09884 182.6
[M-H]- 336.10234 183.7
[M+NH4]+ 355.14344 192.3
[M+K]+ 376.07278 180.2
[M+H-H2O]+ 320.10688 170.7
[M+HCOO]- 382.10782 194.5
[M+CH3COO]- 396.12347 209.5
[M+Na-2H]- 358.08429 176.1
[M]+ 337.10907 179.6
[M]- 337.11017 179.6
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.