CID 5745843

O-nonyl harmol

Structural Information

Molecular Formula
C21H28N2O
SMILES
CCCCCCCCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C21H28N2O/c1-3-4-5-6-7-8-9-14-24-17-10-11-18-19-12-13-22-16(2)21(19)23-20(18)15-17/h10-13,15,23H,3-9,14H2,1-2H3
InChIKey
ROIXAYSEECCGQJ-UHFFFAOYSA-N
Compound name
1-methyl-7-nonoxy-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 182.6
[M+Na]+ 347.20937 190.7
[M-H]- 323.21287 183.5
[M+NH4]+ 342.25397 197.8
[M+K]+ 363.18331 183.6
[M+H-H2O]+ 307.21741 173.7
[M+HCOO]- 369.21835 200.9
[M+CH3COO]- 383.23400 210.1
[M+Na-2H]- 345.19482 185.9
[M]+ 324.21960 188.0
[M]- 324.22070 188.0
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.