CID 6449191

4h-1-benzopyran-4-one, 2,3-dihydro-6-methoxy-3-(2-naphthalenylmethylene)-, (e)-

Structural Information

Molecular Formula
C21H16O3
SMILES
COC1=CC2=C(C=C1)OC/C(=C\C3=CC4=CC=CC=C4C=C3)/C2=O
InChI
InChI=1S/C21H16O3/c1-23-18-8-9-20-19(12-18)21(22)17(13-24-20)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-12H,13H2,1H3/b17-11+
InChIKey
UFXOJFFIXZDTLD-GZTJUZNOSA-N
Compound name
(3E)-6-methoxy-3-(naphthalen-2-ylmethylidene)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.117226 172.6
[M+Na]+ 339.099168 181.0
[M-H]- 315.102674 181.5
[M+NH4]+ 334.143773 187.5
[M+K]+ 355.073108 176.4
[M+H-H2O]+ 299.107210 163.5
[M+HCOO]- 361.108151 191.0
[M+CH3COO]- 375.123801 184.0
[M+Na-2H]- 337.084616 178.7
[M]+ 316.10940142 173.3
[M]- 316.11049858 173.3
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.