CID 50253

Brn 2318602

Structural Information

Molecular Formula
C29H24O8
SMILES
CC(=O)OC1=CC(=C(C2=CC=CC=C21)CC3=C(C=C(C4=CC=CC=C43)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C29H24O8/c1-16(30)34-26-14-28(36-18(3)32)24(20-9-5-7-11-22(20)26)13-25-21-10-6-8-12-23(21)27(35-17(2)31)15-29(25)37-19(4)33/h5-12,14-15H,13H2,1-4H3
InChIKey
JAOXGEPOJCXWRG-UHFFFAOYSA-N
Compound name
[3-acetyloxy-4-[(2,4-diacetyloxynaphthalen-1-yl)methyl]naphthalen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.14713 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.15441 217.8
[M+Na]+ 523.13635 224.4
[M-H]- 499.13985 226.3
[M+NH4]+ 518.18095 225.7
[M+K]+ 539.11029 223.1
[M+H-H2O]+ 483.14439 207.0
[M+HCOO]- 545.14533 235.0
[M+CH3COO]- 559.16098 244.0
[M+Na-2H]- 521.12180 216.9
[M]+ 500.14658 228.3
[M]- 500.14768 228.3
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

No patent data available for this compound.