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]+ 317.09608 169.7
[M+Na]+ 339.07802 184.5
[M-H]- 315.08152 179.1
[M+NH4]+ 334.12262 184.0
[M+K]+ 355.05196 177.8
[M+H-H2O]+ 299.08606 158.8
[M+HCOO]- 361.08700 188.0
[M+CH3COO]- 375.10265 181.9
[M+Na-2H]- 337.06347 183.7
[M]+ 316.08825 179.6
[M]- 316.08935 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.