CID 727584

19983-28-9

Structural Information

Molecular Formula
C13H14N2OS
SMILES
C1COCCN1C2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
InChIKey
MRNNJVNMXOZEQC-UHFFFAOYSA-N
Compound name
4-(4-phenyl-1,3-thiazol-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

42
Patents

246.08269 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08997 152.6
[M+Na]+ 269.07191 160.0
[M-H]- 245.07541 160.2
[M+NH4]+ 264.11651 168.0
[M+K]+ 285.04585 157.1
[M+H-H2O]+ 229.07995 144.4
[M+HCOO]- 291.08089 167.5
[M+CH3COO]- 305.09654 164.5
[M+Na-2H]- 267.05736 154.6
[M]+ 246.08214 151.2
[M]- 246.08324 151.2
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