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]+ 334.18016 180.2
[M+Na]+ 356.16210 186.9
[M-H]- 332.16560 188.0
[M+NH4]+ 351.20670 193.9
[M+K]+ 372.13604 185.1
[M+H-H2O]+ 316.17014 172.4
[M+HCOO]- 378.17108 197.2
[M+CH3COO]- 392.18673 190.1
[M+Na-2H]- 354.14755 184.5
[M]+ 333.17233 177.6
[M]- 333.17343 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.