CID 24884896

904913-36-6

Structural Information

Molecular Formula
C23H14O
SMILES
C1=CC=C2C=C3C4C5=CC6=CC=CC=C6C=C5C(C3=CC2=C1)C4=O
InChI
InChI=1S/C23H14O/c24-23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(23)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12,21-22H
InChIKey
NOXKGSQPEBYYNP-UHFFFAOYSA-N
Compound name
hexacyclo[10.10.1.02,11.04,9.013,22.015,20]tricosa-2,4,6,8,10,13,15,17,19,21-decaen-23-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

306.10446 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11174 170.2
[M+Na]+ 329.09368 188.2
[M+NH4]+ 324.13828 183.1
[M+K]+ 345.06762 180.3
[M-H]- 305.09718 176.0
[M+Na-2H]- 327.07913 175.4
[M]+ 306.10391 174.9
[M]- 306.10501 174.9
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