CID 3047415

Vufb-10555

Structural Information

Molecular Formula
C20H23N
SMILES
C1CC2=CC3=C(CN(CC3)CCC4=CC=CC=C4)C=C2C1
InChI
InChI=1S/C20H23N/c1-2-5-16(6-3-1)9-11-21-12-10-19-13-17-7-4-8-18(17)14-20(19)15-21/h1-3,5-6,13-14H,4,7-12,15H2
InChIKey
FKAWKONYPYUISO-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 167.2
[M+Na]+ 300.172258 172.6
[M-H]- 276.175764 172.9
[M+NH4]+ 295.216863 185.2
[M+K]+ 316.146198 166.1
[M+H-H2O]+ 260.180300 158.1
[M+HCOO]- 322.181241 184.1
[M+CH3COO]- 336.196891 177.5
[M+Na-2H]- 298.157706 170.2
[M]+ 277.18249142 163.2
[M]- 277.18358858 163.2
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.