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 168.0
[M+Na]+ 308.17332 174.7
[M-H]- 284.17682 166.6
[M+NH4]+ 303.21792 183.1
[M+K]+ 324.14726 167.5
[M+H-H2O]+ 268.18136 159.0
[M+HCOO]- 330.18230 178.8
[M+CH3COO]- 344.19795 176.5
[M+Na-2H]- 306.15877 171.7
[M]+ 285.18355 163.8
[M]- 285.18465 163.8
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.