CID 6449201

4h-1-benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (z)-

Structural Information

Molecular Formula
C18H16O3S
SMILES
COC1=CC=C(C=C1)/C=C/2\CSC3=C(C2=O)C=C(C=C3)OC
InChI
InChI=1S/C18H16O3S/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-8-7-15(21-2)10-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+
InChIKey
WHUNTJOARWYMCF-UKTHLTGXSA-N
Compound name
(3Z)-6-methoxy-3-[(4-methoxyphenyl)methylidene]thiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.082 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08928 169.6
[M+Na]+ 335.07122 178.0
[M-H]- 311.07472 177.2
[M+NH4]+ 330.11582 186.0
[M+K]+ 351.04516 172.8
[M+H-H2O]+ 295.07926 162.0
[M+HCOO]- 357.08020 185.6
[M+CH3COO]- 371.09585 204.6
[M+Na-2H]- 333.05667 171.6
[M]+ 312.08145 172.7
[M]- 312.08255 172.7
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.