CID 6602246

(-)-17-(2-(p-tolyl)ethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C25H31NO
SMILES
CC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI
InChI=1S/C25H31NO/c1-18-5-7-19(8-6-18)11-14-26-15-13-25-12-3-2-4-22(25)24(26)16-20-9-10-21(27)17-23(20)25/h5-10,17,22,24,27H,2-4,11-16H2,1H3/t22-,24+,25+/m0/s1
InChIKey
UBXNVCFQTDRUMY-ICDZXHCJSA-N
Compound name
(1R,9R,10R)-17-[2-(4-methylphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24785 191.9
[M+Na]+ 384.22979 195.4
[M-H]- 360.23329 196.4
[M+NH4]+ 379.27439 206.3
[M+K]+ 400.20373 187.8
[M+H-H2O]+ 344.23783 180.0
[M+HCOO]- 406.23877 200.6
[M+CH3COO]- 420.25442 198.7
[M+Na-2H]- 382.21524 193.5
[M]+ 361.24002 184.6
[M]- 361.24112 184.6
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.