CID 5745845

Amyl harmol hydrochloride

Structural Information

Molecular Formula
C17H20N2O
SMILES
CCCCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C17H20N2O/c1-3-4-5-10-20-13-6-7-14-15-8-9-18-12(2)17(15)19-16(14)11-13/h6-9,11,19H,3-5,10H2,1-2H3
InChIKey
IPRVCQDJHYMBAM-UHFFFAOYSA-N
Compound name
1-methyl-7-pentoxy-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.1
[M+Na]+ 291.14678 174.1
[M-H]- 267.15028 165.9
[M+NH4]+ 286.19138 181.7
[M+K]+ 307.12072 167.9
[M+H-H2O]+ 251.15482 156.1
[M+HCOO]- 313.15576 183.9
[M+CH3COO]- 327.17141 175.8
[M+Na-2H]- 289.13223 169.7
[M]+ 268.15701 168.2
[M]- 268.15811 168.2
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.