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 192.2
[M+Na]+ 386.12774 200.7
[M-H]- 362.13124 201.2
[M+NH4]+ 381.17234 204.8
[M+K]+ 402.10168 188.6
[M+H-H2O]+ 346.13578 184.5
[M+HCOO]- 408.13672 208.9
[M+CH3COO]- 422.15237 201.9
[M+Na-2H]- 384.11319 201.0
[M]+ 363.13797 192.9
[M]- 363.13907 192.9
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.