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]+ 317.11723 172.6
[M+Na]+ 339.09917 181.0
[M-H]- 315.10267 181.5
[M+NH4]+ 334.14377 187.5
[M+K]+ 355.07311 176.4
[M+H-H2O]+ 299.10721 163.5
[M+HCOO]- 361.10815 191.0
[M+CH3COO]- 375.12380 184.0
[M+Na-2H]- 337.08462 178.7
[M]+ 316.10940 173.3
[M]- 316.11050 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.