CID 6445973

P-1874

Structural Information

Molecular Formula
C14H17NOS
SMILES
CC1(CSC(=N1)/C=C/C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C14H17NOS/c1-14(2)10-17-13(15-14)9-6-11-4-7-12(16-3)8-5-11/h4-9H,10H2,1-3H3/b9-6+
InChIKey
NAXRKUQAOGKBKY-RMKNXTFCSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10309 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11037 157.1
[M+Na]+ 270.09231 169.9
[M+NH4]+ 265.13691 167.6
[M+K]+ 286.06625 159.9
[M-H]- 246.09581 160.8
[M+Na-2H]- 268.07776 165.4
[M]+ 247.10254 160.7
[M]- 247.10364 160.7
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.