CID 3038952

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

Structural Information

Molecular Formula
C15H19N3
SMILES
CN1CCN2CC3=C(CC2C1)C4=CC=CC=C4N3
InChI
InChI=1S/C15H19N3/c1-17-6-7-18-10-15-13(8-11(18)9-17)12-4-2-3-5-14(12)16-15/h2-5,11,16H,6-10H2,1H3
InChIKey
YTQPNFFSFYEBDV-UHFFFAOYSA-N
Compound name
6-methyl-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

1
References

0
Patents

241.1579 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16518 156.4
[M+Na]+ 264.14712 164.6
[M-H]- 240.15062 156.7
[M+NH4]+ 259.19172 174.1
[M+K]+ 280.12106 158.0
[M+H-H2O]+ 224.15516 147.4
[M+HCOO]- 286.15610 169.2
[M+CH3COO]- 300.17175 166.6
[M+Na-2H]- 262.13257 161.3
[M]+ 241.15735 151.9
[M]- 241.15845 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.