CID 6481720

(3e)-3-(4-bicyclo[4.2.0]octa-1,3,5-trienylmethylene)-6-methoxy-chroman-4-one

Structural Information

Molecular Formula
C19H16O3
SMILES
COC1=CC2=C(C=C1)OC/C(=C\C3=CC4=C(CC4)C=C3)/C2=O
InChI
InChI=1S/C19H16O3/c1-21-16-6-7-18-17(10-16)19(20)15(11-22-18)9-12-2-3-13-4-5-14(13)8-12/h2-3,6-10H,4-5,11H2,1H3/b15-9+
InChIKey
IPEMTIDPMBXBFC-OQLLNIDSSA-N
Compound name
(3E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethylidene)-6-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 158.8
[M+Na]+ 315.09917 166.3
[M-H]- 291.10267 167.5
[M+NH4]+ 310.14377 168.8
[M+K]+ 331.07311 166.0
[M+H-H2O]+ 275.10721 145.9
[M+HCOO]- 337.10815 176.6
[M+CH3COO]- 351.12380 206.7
[M+Na-2H]- 313.08462 164.7
[M]+ 292.10940 168.7
[M]- 292.11050 168.7
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.