CID 6445751

P-1917

Structural Information

Molecular Formula
C12H13NOS
SMILES
COC1=CC=C(C=C1)/C=C/C2=NCCS2
InChI
InChI=1S/C12H13NOS/c1-14-11-5-2-10(3-6-11)4-7-12-13-8-9-15-12/h2-7H,8-9H2,1H3/b7-4+
InChIKey
YNYXLQQGFXBDJV-QPJJXVBHSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 148.8
[M+Na]+ 242.06102 161.5
[M+NH4]+ 237.10562 158.1
[M+K]+ 258.03496 153.4
[M-H]- 218.06452 152.5
[M+Na-2H]- 240.04647 156.0
[M]+ 219.07125 152.1
[M]- 219.07235 152.1
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.