CID 5745714

6-piperidomorphide

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)N6CCCCC6
InChI
InChI=1S/C22H28N2O2/c1-23-12-9-22-15-6-7-16(24-10-3-2-4-11-24)21(22)26-20-18(25)8-5-14(19(20)22)13-17(15)23/h5-8,15-17,21,25H,2-4,9-13H2,1H3/t15-,16-,17+,21-,22-/m0/s1
InChIKey
IWUAWWYYAUZWRX-ZKYZHAQMSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-3-methyl-7-piperidin-1-yl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 184.3
[M+Na]+ 375.204318 188.0
[M-H]- 351.207824 187.7
[M+NH4]+ 370.248923 199.6
[M+K]+ 391.178258 182.6
[M+H-H2O]+ 335.212360 172.8
[M+HCOO]- 397.213301 188.2
[M+CH3COO]- 411.228951 191.1
[M+Na-2H]- 373.189766 184.6
[M]+ 352.21455142 178.1
[M]- 352.21564858 178.1
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.