CID 3068969

Brn 5274758

Structural Information

Molecular Formula
C16H19NOS
SMILES
CC1(CC(CCO1)C2=NC(=CS2)C3=CC=CC=C3)C
InChI
InChI=1S/C16H19NOS/c1-16(2)10-13(8-9-18-16)15-17-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKey
WBYFUDAJPMHODG-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyloxan-4-yl)-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11874 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 161.5
[M+Na]+ 296.10796 169.3
[M-H]- 272.11146 170.7
[M+NH4]+ 291.15256 179.5
[M+K]+ 312.08190 166.2
[M+H-H2O]+ 256.11600 154.3
[M+HCOO]- 318.11694 176.7
[M+CH3COO]- 332.13259 173.6
[M+Na-2H]- 294.09341 162.9
[M]+ 273.11819 161.4
[M]- 273.11929 161.4
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.