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 186.3
[M+Na]+ 380.16210 192.4
[M-H]- 356.16560 190.0
[M+NH4]+ 375.20670 199.1
[M+K]+ 396.13604 184.6
[M+H-H2O]+ 340.17014 175.9
[M+HCOO]- 402.17108 197.6
[M+CH3COO]- 416.18673 194.3
[M+Na-2H]- 378.14755 190.9
[M]+ 357.17233 183.7
[M]- 357.17343 183.7
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.