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]+ 385.143446 192.7
[M+Na]+ 407.125388 200.9
[M-H]- 383.128894 201.3
[M+NH4]+ 402.169993 205.9
[M+K]+ 423.099328 196.1
[M+H-H2O]+ 367.133430 182.7
[M+HCOO]- 429.134371 212.7
[M+CH3COO]- 443.150021 221.9
[M+Na-2H]- 405.110836 196.5
[M]+ 384.13562142 198.2
[M]- 384.13671858 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