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]+ 333.207376 180.8
[M+Na]+ 355.189318 187.4
[M-H]- 331.192824 182.2
[M+NH4]+ 350.233923 192.5
[M+K]+ 371.163258 178.5
[M+H-H2O]+ 315.197360 168.7
[M+HCOO]- 377.198301 191.3
[M+CH3COO]- 391.213951 188.3
[M+Na-2H]- 353.174766 184.5
[M]+ 332.19955142 175.9
[M]- 332.20064858 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.