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]+ 358.180156 186.3
[M+Na]+ 380.162098 192.4
[M-H]- 356.165604 190.0
[M+NH4]+ 375.206703 199.1
[M+K]+ 396.136038 184.6
[M+H-H2O]+ 340.170140 175.9
[M+HCOO]- 402.171081 197.6
[M+CH3COO]- 416.186731 194.3
[M+Na-2H]- 378.147546 190.9
[M]+ 357.17233142 183.7
[M]- 357.17342858 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.