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 155.1
[M+Na]+ 270.09231 164.4
[M-H]- 246.09581 161.1
[M+NH4]+ 265.13691 176.0
[M+K]+ 286.06625 160.3
[M+H-H2O]+ 230.10035 148.8
[M+HCOO]- 292.10129 173.2
[M+CH3COO]- 306.11694 190.9
[M+Na-2H]- 268.07776 156.5
[M]+ 247.10254 158.4
[M]- 247.10364 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.