CID 5492948

13851-14-4

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)N6CCCCC6
InChI
InChI=1S/C22H30N2O2/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,2-4,6-7,9-13H2,1H3/t15-,16-,17+,21-,22-/m0/s1
InChIKey
WUSHRDOYHRKYSL-ZKYZHAQMSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-3-methyl-7-piperidin-1-yl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 185.4
[M+Na]+ 377.21996 188.1
[M-H]- 353.22346 188.3
[M+NH4]+ 372.26456 200.5
[M+K]+ 393.19390 182.7
[M+H-H2O]+ 337.22800 173.9
[M+HCOO]- 399.22894 187.8
[M+CH3COO]- 413.24459 191.6
[M+Na-2H]- 375.20541 184.6
[M]+ 354.23019 177.7
[M]- 354.23129 177.7
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.