CID 5745694

8-piperidocodide

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CN1CC[C@]23[C@@H]4C=CC([C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4)N6CCCCC6
InChI
InChI=1S/C23H30N2O2/c1-24-13-10-23-19-9-7-16(25-11-4-3-5-12-25)21(23)17(24)14-15-6-8-18(26-2)22(27-19)20(15)23/h6-9,16-17,19,21H,3-5,10-14H2,1-2H3/t16?,17-,19+,21+,23-/m1/s1
InChIKey
ZKSCSTYPLPGXMZ-LDOBVUIVSA-N
Compound name
(4R,4aR,7aS,12bS)-9-methoxy-3-methyl-5-piperidin-1-yl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 191.8
[M+Na]+ 389.21996 204.3
[M+NH4]+ 384.26456 203.4
[M+K]+ 405.19390 195.5
[M-H]- 365.22346 197.5
[M+Na-2H]- 387.20541 193.4
[M]+ 366.23019 195.4
[M]- 366.23129 195.4
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.