CID 3047523

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

Structural Information

Molecular Formula
C22H25N3
SMILES
C1CN2CC3=C(CC2CN1CCC4=CC=CC=C4)C5=CC=CC=C5N3
InChI
InChI=1S/C22H25N3/c1-2-6-17(7-3-1)10-11-24-12-13-25-16-22-20(14-18(25)15-24)19-8-4-5-9-21(19)23-22/h1-9,18,23H,10-16H2
InChIKey
QIEMUKBAGNYTMM-UHFFFAOYSA-N
Compound name
6-(2-phenylethyl)-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

331.20483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 183.1
[M+Na]+ 354.19405 198.5
[M+NH4]+ 349.23865 192.9
[M+K]+ 370.16799 189.8
[M-H]- 330.19755 188.1
[M+Na-2H]- 352.17950 189.3
[M]+ 331.20428 186.9
[M]- 331.20538 186.9
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.