CID 318597

35193-69-2

Structural Information

Molecular Formula
C21H16O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
InChIKey
SYSSVMYYSHYMAQ-UHFFFAOYSA-N
Compound name
1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

300.11502 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 169.3
[M+Na]+ 323.10424 179.5
[M-H]- 299.10774 177.2
[M+NH4]+ 318.14884 185.8
[M+K]+ 339.07818 173.0
[M+H-H2O]+ 283.11228 160.6
[M+HCOO]- 345.11322 190.7
[M+CH3COO]- 359.12887 181.5
[M+Na-2H]- 321.08969 177.2
[M]+ 300.11447 171.8
[M]- 300.11557 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe