CID 6445973

Thiazole, 4,5-dihydro-4,4-dimethyl-2-(2-(4-methoxyphenyl)ethenyl)-

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]+ 248.110366 155.1
[M+Na]+ 270.092308 164.4
[M-H]- 246.095814 161.1
[M+NH4]+ 265.136913 176.0
[M+K]+ 286.066248 160.3
[M+H-H2O]+ 230.100350 148.8
[M+HCOO]- 292.101291 173.2
[M+CH3COO]- 306.116941 190.9
[M+Na-2H]- 268.077756 156.5
[M]+ 247.10254142 158.4
[M]- 247.10363858 158.4
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.