CID 67191

128-69-8

Structural Information

Molecular Formula
C24H8O6
SMILES
C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O
InChI
InChI=1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H
InChIKey
CLYVDMAATCIVBF-UHFFFAOYSA-N
Compound name
7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

82
References

27837
Patents

392.03207 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03935 184.1
[M+Na]+ 415.02129 195.1
[M-H]- 391.02479 192.2
[M+NH4]+ 410.06589 198.4
[M+K]+ 430.99523 192.7
[M+H-H2O]+ 375.02933 171.5
[M+HCOO]- 437.03027 195.3
[M+CH3COO]- 451.04592 194.5
[M+Na-2H]- 413.00674 194.0
[M]+ 392.03152 192.7
[M]- 392.03262 192.7
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

patents stripe