CID 3038953

2-(2-(4-pyridyl)ethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole

Structural Information

Molecular Formula
C21H24N4
SMILES
C1CN2CC3=C(CC2CN1CCC4=CC=NC=C4)C5=CC=CC=C5N3
InChI
InChI=1S/C21H24N4/c1-2-4-20-18(3-1)19-13-17-14-24(10-7-16-5-8-22-9-6-16)11-12-25(17)15-21(19)23-20/h1-6,8-9,17,23H,7,10-15H2
InChIKey
ZURAMDKUFKQEFG-UHFFFAOYSA-N
Compound name
6-(2-pyridin-4-ylethyl)-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

332.2001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 180.8
[M+Na]+ 355.18932 187.4
[M-H]- 331.19282 182.2
[M+NH4]+ 350.23392 192.5
[M+K]+ 371.16326 178.5
[M+H-H2O]+ 315.19736 168.7
[M+HCOO]- 377.19830 191.3
[M+CH3COO]- 391.21395 188.3
[M+Na-2H]- 353.17477 184.5
[M]+ 332.19955 175.9
[M]- 332.20065 175.9
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.