CID 3044319

Morpholine, 4-((4-amino-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-

Structural Information

Molecular Formula
C15H17N3O2S2
SMILES
CC1=CC=CC=C1N2C(=C(SC2=S)C(=O)N3CCOCC3)N
InChI
InChI=1S/C15H17N3O2S2/c1-10-4-2-3-5-11(10)18-13(16)12(22-15(18)21)14(19)17-6-8-20-9-7-17/h2-5H,6-9,16H2,1H3
InChIKey
WTMMMLVWPKAJBZ-UHFFFAOYSA-N
Compound name
[4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07623 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08351 173.1
[M+Na]+ 358.06545 184.4
[M+NH4]+ 353.11005 180.5
[M+K]+ 374.03939 176.9
[M-H]- 334.06895 179.0
[M+Na-2H]- 356.05090 178.2
[M]+ 335.07568 177.1
[M]- 335.07678 177.1
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.