CID 3038957

(+-)-3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1h)-propanol

Structural Information

Molecular Formula
C17H23N3O
SMILES
C1CN2CC3=C(CC2CN1CCCO)C4=CC=CC=C4N3
InChI
InChI=1S/C17H23N3O/c21-9-3-6-19-7-8-20-12-17-15(10-13(20)11-19)14-4-1-2-5-16(14)18-17/h1-2,4-5,13,18,21H,3,6-12H2
InChIKey
GPFLOZIEUHETLZ-UHFFFAOYSA-N
Compound name
3-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.6
[M+Na]+ 308.17332 182.0
[M+NH4]+ 303.21792 178.1
[M+K]+ 324.14726 175.7
[M-H]- 284.17682 170.9
[M+Na-2H]- 306.15877 172.0
[M]+ 285.18355 171.6
[M]- 285.18465 171.6
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.