CID 325543

17734-91-7

Structural Information

Molecular Formula
C30H26O8
SMILES
CC1=CC2=C(C(=C1)OC(=O)C)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C=C4OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H26O8/c1-15-11-21-7-9-23(29(37-19(5)33)27(21)25(13-15)35-17(3)31)24-10-8-22-12-16(2)14-26(36-18(4)32)28(22)30(24)38-20(6)34/h7-14H,1-6H3
InChIKey
ZIPSSPPALYZSOE-UHFFFAOYSA-N
Compound name
[8-acetyloxy-7-(1,8-diacetyloxy-6-methylnaphthalen-2-yl)-3-methylnaphthalen-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1628 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.17008 221.3
[M+Na]+ 537.15202 229.1
[M-H]- 513.15552 230.3
[M+NH4]+ 532.19662 229.2
[M+K]+ 553.12596 228.0
[M+H-H2O]+ 497.16006 210.7
[M+HCOO]- 559.16100 238.1
[M+CH3COO]- 573.17665 249.6
[M+Na-2H]- 535.13747 218.7
[M]+ 514.16225 233.0
[M]- 514.16335 233.0
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.