CID 206444

Trans-(+-)-6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indole

Structural Information

Molecular Formula
C20H21N3
SMILES
C1CN2[C@@H](CC3=C([C@@H]2C4=CC=CC=C4)NC5=CC=CC=C35)CN1
InChI
InChI=1S/C20H21N3/c1-2-6-14(7-3-1)20-19-17(12-15-13-21-10-11-23(15)20)16-8-4-5-9-18(16)22-19/h1-9,15,20-22H,10-13H2/t15-,20-/m0/s1
InChIKey
KEPGSYZBEGWSGA-YWZLYKJASA-N
Compound name
(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.17355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.180826 170.9
[M+Na]+ 326.162768 177.7
[M-H]- 302.166274 172.7
[M+NH4]+ 321.207373 184.6
[M+K]+ 342.136708 168.4
[M+H-H2O]+ 286.170810 160.5
[M+HCOO]- 348.171751 181.8
[M+CH3COO]- 362.187401 179.2
[M+Na-2H]- 324.148216 175.1
[M]+ 303.17300142 163.7
[M]- 303.17409858 163.7
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.