CID 866380

Brn 1223067

Structural Information

Molecular Formula
C14H15N3O2S2
SMILES
C1COCCN1C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N
InChI
InChI=1S/C14H15N3O2S2/c15-12-11(13(18)16-6-8-19-9-7-16)21-14(20)17(12)10-4-2-1-3-5-10/h1-5H,6-9,15H2
InChIKey
RDKNLTNGGDDCSS-UHFFFAOYSA-N
Compound name
(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

321.06058 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06786 167.9
[M+Na]+ 344.04980 179.1
[M+NH4]+ 339.09440 175.6
[M+K]+ 360.02374 171.7
[M-H]- 320.05330 173.8
[M+Na-2H]- 342.03525 173.6
[M]+ 321.06003 171.9
[M]- 321.06113 171.9
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

No patent data available for this compound.