CID 372664

Nsc648197

Structural Information

Molecular Formula
C23H22O4
SMILES
COC12CCC(C(C1)O)C(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H22O4/c1-27-23-13-12-17(18(24)14-23)19(21(25)15-8-4-2-5-9-15)20(23)22(26)16-10-6-3-7-11-16/h2-11,17-18,24H,12-14H2,1H3
InChIKey
SPSBAJLBBLGQKG-UHFFFAOYSA-N
Compound name
(3-benzoyl-6-hydroxy-4-methoxy-2-bicyclo[2.2.2]oct-2-enyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 184.8
[M+Na]+ 385.14102 187.9
[M-H]- 361.14452 186.1
[M+NH4]+ 380.18562 201.9
[M+K]+ 401.11496 183.7
[M+H-H2O]+ 345.14906 176.1
[M+HCOO]- 407.15000 193.5
[M+CH3COO]- 421.16565 192.2
[M+Na-2H]- 383.12647 191.6
[M]+ 362.15125 187.0
[M]- 362.15235 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.