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]+ 242.165176 156.4
[M+Na]+ 264.147118 164.6
[M-H]- 240.150624 156.7
[M+NH4]+ 259.191723 174.1
[M+K]+ 280.121058 158.0
[M+H-H2O]+ 224.155160 147.4
[M+HCOO]- 286.156101 169.2
[M+CH3COO]- 300.171751 166.6
[M+Na-2H]- 262.132566 161.3
[M]+ 241.15735142 151.9
[M]- 241.15844858 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.