CID 6449196

Brn 3616317

Structural Information

Molecular Formula
C17H14O2S
SMILES
COC1=CC=CC=C1/C=C/2\CSC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O2S/c1-19-15-8-4-2-6-12(15)10-13-11-20-16-9-5-3-7-14(16)17(13)18/h2-10H,11H2,1H3/b13-10+
InChIKey
QZWPVTSWDZTKJV-JLHYYAGUSA-N
Compound name
(3Z)-3-[(2-methoxyphenyl)methylidene]thiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07144 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07872 161.8
[M+Na]+ 305.06066 177.1
[M+NH4]+ 300.10526 171.9
[M+K]+ 321.03460 166.0
[M-H]- 281.06416 167.6
[M+Na-2H]- 303.04611 170.3
[M]+ 282.07089 166.3
[M]- 282.07199 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.