CID 97476

2-naphthalenol, 1,1'-methylenebis-, diacetate

Structural Information

Molecular Formula
C25H20O4
SMILES
CC(=O)OC1=C(C2=CC=CC=C2C=C1)CC3=C(C=CC4=CC=CC=C43)OC(=O)C
InChI
InChI=1S/C25H20O4/c1-16(26)28-24-13-11-18-7-3-5-9-20(18)22(24)15-23-21-10-6-4-8-19(21)12-14-25(23)29-17(2)27/h3-14H,15H2,1-2H3
InChIKey
MIDLDRLQRVQGHD-UHFFFAOYSA-N
Compound name
[1-[(2-acetyloxynaphthalen-1-yl)methyl]naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.13617 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14345 192.7
[M+Na]+ 407.12539 200.9
[M-H]- 383.12889 201.3
[M+NH4]+ 402.16999 205.9
[M+K]+ 423.09933 196.1
[M+H-H2O]+ 367.13343 182.7
[M+HCOO]- 429.13437 212.7
[M+CH3COO]- 443.15002 221.9
[M+Na-2H]- 405.11084 196.5
[M]+ 384.13562 198.2
[M]- 384.13672 198.2
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

patents stripe