CID 89324

N-phenethylnorapomorphine hydrochloride

Structural Information

Molecular Formula
C24H23NO2
SMILES
C1CN(C2CC3=C(C4=CC=CC1=C24)C(=C(C=C3)O)O)CCC5=CC=CC=C5
InChI
InChI=1S/C24H23NO2/c26-21-10-9-18-15-20-22-17(7-4-8-19(22)23(18)24(21)27)12-14-25(20)13-11-16-5-2-1-3-6-16/h1-10,20,26-27H,11-15H2
InChIKey
LKHHMWVNWSMQMP-UHFFFAOYSA-N
Compound name
6-(2-phenylethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 187.9
[M+Na]+ 380.16210 204.5
[M+NH4]+ 375.20670 197.9
[M+K]+ 396.13604 194.0
[M-H]- 356.16560 193.7
[M+Na-2H]- 378.14755 194.1
[M]+ 357.17233 192.2
[M]- 357.17343 192.2
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.