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]+ 304.18083 170.9
[M+Na]+ 326.16277 177.7
[M-H]- 302.16627 172.7
[M+NH4]+ 321.20737 184.6
[M+K]+ 342.13671 168.4
[M+H-H2O]+ 286.17081 160.5
[M+HCOO]- 348.17175 181.8
[M+CH3COO]- 362.18740 179.2
[M+Na-2H]- 324.14822 175.1
[M]+ 303.17300 163.7
[M]- 303.17410 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.