CID 3443489

2-(carboxymethyl)-3-(2-(2-hydroxy-1-naphthyl)vinyl)benzo(f)chromenium chloride

Structural Information

Molecular Formula
C27H19O4
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C(=[O+]3)C=CC4=C(C=CC5=CC=CC=C54)O)CC(=O)O
InChI
InChI=1S/C27H18O4/c28-24-12-9-17-5-1-3-7-20(17)22(24)11-14-25-19(16-27(29)30)15-23-21-8-4-2-6-18(21)10-13-26(23)31-25/h1-15H,16H2,(H-,28,29,30)/p+1
InChIKey
CVRBJEJAKUSWKY-UHFFFAOYSA-O
Compound name
2-[3-[2-(2-hydroxynaphthalen-1-yl)ethenyl]benzo[f]chromen-4-ium-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.12833 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13561 202.5
[M+Na]+ 430.11755 210.7
[M-H]- 406.12105 210.3
[M+NH4]+ 425.16215 212.5
[M+K]+ 446.09149 198.8
[M+H-H2O]+ 390.12559 194.5
[M+HCOO]- 452.12653 217.7
[M+CH3COO]- 466.14218 215.9
[M+Na-2H]- 428.10300 210.1
[M]+ 407.12778 204.2
[M]- 407.12888 204.2
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.