CID 154699930

Ns00117651

Structural Information

Molecular Formula
C24H12O
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C2C6=C(C=C5C=C4)C7=C(O7)C=C6
InChI
InChI=1S/C24H12O/c1-2-6-17-15(5-1)16-7-3-4-13-8-9-14-12-19-18(10-11-20-24(19)25-20)23(17)22(14)21(13)16/h1-12H
InChIKey
RNWHENHYLHGYSS-UHFFFAOYSA-N
Compound name
6-oxaheptacyclo[11.10.2.02,8.05,7.010,24.017,25.018,23]pentacosa-1(24),2(8),3,5(7),9,11,13(25),14,16,18,20,22-dodecaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.0888 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.096076 169.7
[M+Na]+ 339.078018 184.5
[M-H]- 315.081524 179.1
[M+NH4]+ 334.122623 184.0
[M+K]+ 355.051958 177.8
[M+H-H2O]+ 299.086060 158.8
[M+HCOO]- 361.087001 188.0
[M+CH3COO]- 375.102651 181.9
[M+Na-2H]- 337.063466 183.7
[M]+ 316.08825142 179.6
[M]- 316.08934858 179.6
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.