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 170.4
[M+Na]+ 344.04980 178.6
[M-H]- 320.05330 177.6
[M+NH4]+ 339.09440 182.8
[M+K]+ 360.02374 173.3
[M+H-H2O]+ 304.05784 163.1
[M+HCOO]- 366.05878 179.5
[M+CH3COO]- 380.07443 180.5
[M+Na-2H]- 342.03525 168.1
[M]+ 321.06003 168.9
[M]- 321.06113 168.9
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

patents stripe