CID 634912

Tricyclo(8.2.2.2(4,7))hexadeca-hexaene-tetracarboxylic acid tetramethyl ester

Structural Information

Molecular Formula
C24H24O8
SMILES
COC(=O)C1=C2CCC3=C(C(=C(CCC(=C1C(=O)OC)C=C2)C=C3)C(=O)OC)C(=O)OC
InChI
InChI=1S/C24H24O8/c1-29-21(25)17-13-5-6-14(18(17)22(26)30-2)11-12-16-8-7-15(10-9-13)19(23(27)31-3)20(16)24(28)32-4/h5-8H,9-12H2,1-4H3
InChIKey
ZUYBKGPVJPHPTM-UHFFFAOYSA-N
Compound name
tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.14713 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.154406 207.0
[M+Na]+ 463.136348 204.2
[M-H]- 439.139854 188.1
[M+NH4]+ 458.180953 213.0
[M+K]+ 479.110288 208.9
[M+H-H2O]+ 423.144390 210.7
[M+HCOO]- 485.145331 205.7
[M+CH3COO]- 499.160981 233.1
[M+Na-2H]- 461.121796 209.7
[M]+ 440.14658142 212.3
[M]- 440.14767858 212.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.