CID 3068970

Brn 5285670

Structural Information

Molecular Formula
C17H21NOS
SMILES
CC(C)C1CC(CCO1)C2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C17H21NOS/c1-12(2)16-10-14(8-9-19-16)17-18-15(11-20-17)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKey
YHRWMLAOIDLCPQ-UHFFFAOYSA-N
Compound name
4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 167.0
[M+Na]+ 310.12362 173.0
[M-H]- 286.12712 175.7
[M+NH4]+ 305.16822 182.3
[M+K]+ 326.09756 169.8
[M+H-H2O]+ 270.13166 159.3
[M+HCOO]- 332.13260 180.7
[M+CH3COO]- 346.14825 178.0
[M+Na-2H]- 308.10907 165.5
[M]+ 287.13385 166.3
[M]- 287.13495 166.3
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.