CID 109701

68189-14-0

Structural Information

Molecular Formula
C26H19O2
SMILES
CC(=CC1=C(C=CC2=CC=CC=C21)O)C3=[O+]C4=C(C=C3)C5=CC=CC=C5C=C4
InChI
InChI=1S/C26H18O2/c1-17(16-23-21-9-5-3-6-18(21)10-13-24(23)27)25-15-12-22-20-8-4-2-7-19(20)11-14-26(22)28-25/h2-16H,1H3/p+1
InChIKey
YQHMXZREZCTXJR-UHFFFAOYSA-O
Compound name
1-(2-benzo[f]chromen-4-ium-3-ylprop-1-enyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14580 185.9
[M+Na]+ 386.12774 208.1
[M+NH4]+ 381.17234 197.6
[M+K]+ 402.10168 197.2
[M-H]- 362.13124 196.8
[M+Na-2H]- 384.11319 196.9
[M]+ 363.13797 193.2
[M]- 363.13907 193.2
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.