CID 3049954

2-acetamido-3-phenyl-n-(3-methyl-2-thiazolidinylidene)propionamide

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)N=C2N(CCS2)C
InChI
InChI=1S/C15H19N3O2S/c1-11(19)16-13(10-12-6-4-3-5-7-12)14(20)17-15-18(2)8-9-21-15/h3-7,13H,8-10H2,1-2H3,(H,16,19)
InChIKey
OZRMQNVTYBKZRR-UHFFFAOYSA-N
Compound name
2-acetamido-N-(3-methyl-1,3-thiazolidin-2-ylidene)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

305.1198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 172.9
[M+Na]+ 328.10902 176.8
[M-H]- 304.11252 179.0
[M+NH4]+ 323.15362 188.4
[M+K]+ 344.08296 174.0
[M+H-H2O]+ 288.11706 164.5
[M+HCOO]- 350.11800 189.9
[M+CH3COO]- 364.13365 207.6
[M+Na-2H]- 326.09447 170.8
[M]+ 305.11925 172.7
[M]- 305.12035 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe