CID 53494930

Cannabipiperidiethanone

Structural Information

Molecular Formula
C24H28N2O2
SMILES
CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)CC4=CC=CC=C4OC
InChI
InChI=1S/C24H28N2O2/c1-25-14-8-7-10-19(25)16-26-17-21(20-11-4-5-12-22(20)26)23(27)15-18-9-3-6-13-24(18)28-2/h3-6,9,11-13,17,19H,7-8,10,14-16H2,1-2H3
InChIKey
AJSBNWAHEDVQJT-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

376.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 194.1
[M+Na]+ 399.20432 200.0
[M-H]- 375.20782 201.4
[M+NH4]+ 394.24892 205.6
[M+K]+ 415.17826 193.8
[M+H-H2O]+ 359.21236 183.0
[M+HCOO]- 421.21330 210.7
[M+CH3COO]- 435.22895 202.9
[M+Na-2H]- 397.18977 193.0
[M]+ 376.21455 194.4
[M]- 376.21565 194.4
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