CID 6364803

(z)-2,3-dihydro-3-((4-methoxyphenyl)methylene)-4h-1-benzothiopyran-4-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
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 170.0
[M-H]- 281.06416 169.3
[M+NH4]+ 300.10526 179.3
[M+K]+ 321.03460 164.4
[M+H-H2O]+ 265.06870 154.5
[M+HCOO]- 327.06964 178.0
[M+CH3COO]- 341.08529 173.7
[M+Na-2H]- 303.04611 164.8
[M]+ 282.07089 162.7
[M]- 282.07199 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe