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]+ 288.141676 167.0
[M+Na]+ 310.123618 173.0
[M-H]- 286.127124 175.7
[M+NH4]+ 305.168223 182.3
[M+K]+ 326.097558 169.8
[M+H-H2O]+ 270.131660 159.3
[M+HCOO]- 332.132601 180.7
[M+CH3COO]- 346.148251 178.0
[M+Na-2H]- 308.109066 165.5
[M]+ 287.13385142 166.3
[M]- 287.13494858 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.