CID 3044321

Brn 1223646

Structural Information

Molecular Formula
C15H17N3O2S2
SMILES
CC1=CC(=CC=C1)N2C(=C(SC2=S)C(=O)N3CCOCC3)N
InChI
InChI=1S/C15H17N3O2S2/c1-10-3-2-4-11(9-10)18-13(16)12(22-15(18)21)14(19)17-5-7-20-8-6-17/h2-4,9H,5-8,16H2,1H3
InChIKey
GPKPQBKGSCTGAQ-UHFFFAOYSA-N
Compound name
[4-amino-3-(3-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 174.9
[M+Na]+ 358.06545 183.5
[M-H]- 334.06895 182.4
[M+NH4]+ 353.11005 187.1
[M+K]+ 374.03939 177.9
[M+H-H2O]+ 318.07349 167.7
[M+HCOO]- 380.07443 183.7
[M+CH3COO]- 394.09008 184.9
[M+Na-2H]- 356.05090 171.5
[M]+ 335.07568 174.2
[M]- 335.07678 174.2
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.