CID 206442

Pyrazino(1',2':1,6)pyrido(3,4-b)indol-1(2h)-one, 3,4,6,7,12,12a-hexahydro-6-phenyl-, (z)-(+-)-

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1CN2[C@H](CC3=C([C@@H]2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1
InChI
InChI=1S/C20H19N3O/c24-20-17-12-15-14-8-4-5-9-16(14)22-18(15)19(23(17)11-10-21-20)13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,21,24)/t17-,19+/m1/s1
InChIKey
OLFJLAVFMZZYDH-MJGOQNOKSA-N
Compound name
(2S,8R)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 174.6
[M+Na]+ 340.142018 182.4
[M-H]- 316.145524 176.9
[M+NH4]+ 335.186623 187.9
[M+K]+ 356.115958 173.3
[M+H-H2O]+ 300.150060 164.4
[M+HCOO]- 362.151001 185.7
[M+CH3COO]- 376.166651 183.1
[M+Na-2H]- 338.127466 178.1
[M]+ 317.15225142 168.5
[M]- 317.15334858 168.5
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.