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]+ 286.191376 168.0
[M+Na]+ 308.173318 174.7
[M-H]- 284.176824 166.6
[M+NH4]+ 303.217923 183.1
[M+K]+ 324.147258 167.5
[M+H-H2O]+ 268.181360 159.0
[M+HCOO]- 330.182301 178.8
[M+CH3COO]- 344.197951 176.5
[M+Na-2H]- 306.158766 171.7
[M]+ 285.18355142 163.8
[M]- 285.18464858 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.