CID 4374049

3594-94-3

Structural Information

Molecular Formula
C22H18O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)CO)CO
InChI
InChI=1S/C22H18O2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12,23-24H,13-14H2
InChIKey
MBKVMGGUKWIVDS-UHFFFAOYSA-N
Compound name
[1-[2-(hydroxymethyl)naphthalen-1-yl]naphthalen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

314.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13796 173.6
[M+Na]+ 337.11990 183.0
[M-H]- 313.12340 180.0
[M+NH4]+ 332.16450 188.9
[M+K]+ 353.09384 175.5
[M+H-H2O]+ 297.12794 165.1
[M+HCOO]- 359.12888 193.2
[M+CH3COO]- 373.14453 184.7
[M+Na-2H]- 335.10535 180.6
[M]+ 314.13013 174.8
[M]- 314.13123 174.8
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

patents stripe