CID 16769319

926228-58-2

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
C1COCCN1C2=NC(=C(S2)CO)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,17H,6-10H2
InChIKey
VGEHBNSWOWVQIF-UHFFFAOYSA-N
Compound name
(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09326 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 160.6
[M+Na]+ 299.08248 167.8
[M-H]- 275.08598 167.0
[M+NH4]+ 294.12708 174.3
[M+K]+ 315.05642 164.2
[M+H-H2O]+ 259.09052 152.6
[M+HCOO]- 321.09146 173.8
[M+CH3COO]- 335.10711 171.6
[M+Na-2H]- 297.06793 161.3
[M]+ 276.09271 159.6
[M]- 276.09381 159.6
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.