CID 206149

Brn 1263757

Structural Information

Molecular Formula
C22H23NO2
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C=C2)CN4CCCCC4
InChI
InChI=1S/C22H23NO2/c1-25-21-12-11-19-18(20(21)15-23-13-5-2-6-14-23)10-9-16-7-3-4-8-17(16)22(19)24/h3-4,7-12H,2,5-6,13-15H2,1H3
InChIKey
FEKRQWYREUUOMT-UHFFFAOYSA-N
Compound name
6-methoxy-7-(piperidin-1-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.180156 180.2
[M+Na]+ 356.162098 186.9
[M-H]- 332.165604 188.0
[M+NH4]+ 351.206703 193.9
[M+K]+ 372.136038 185.1
[M+H-H2O]+ 316.170140 172.4
[M+HCOO]- 378.171081 197.2
[M+CH3COO]- 392.186731 190.1
[M+Na-2H]- 354.147546 184.5
[M]+ 333.17233142 177.6
[M]- 333.17342858 177.6
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.