CID 3052493

Brn 2306636

Structural Information

Molecular Formula
C24H20O3
SMILES
CC(=O)OC1=C(C2=CC=CC=C2C=C1)CC3=C(C=CC4=CC=CC=C43)OC
InChI
InChI=1S/C24H20O3/c1-16(25)27-24-14-12-18-8-4-6-10-20(18)22(24)15-21-19-9-5-3-7-17(19)11-13-23(21)26-2/h3-14H,15H2,1-2H3
InChIKey
LWLQYFQFGWPXIH-UHFFFAOYSA-N
Compound name
[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.14124 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14852 186.2
[M+Na]+ 379.13046 195.1
[M-H]- 355.13396 194.9
[M+NH4]+ 374.17506 200.8
[M+K]+ 395.10440 189.6
[M+H-H2O]+ 339.13850 176.3
[M+HCOO]- 401.13944 207.3
[M+CH3COO]- 415.15509 197.3
[M+Na-2H]- 377.11591 191.5
[M]+ 356.14069 191.3
[M]- 356.14179 191.3
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