CID 5482461

7-hexoxy-1-methyl-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCCCCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C18H22N2O/c1-3-4-5-6-11-21-14-7-8-15-16-9-10-19-13(2)18(16)20-17(15)12-14/h7-10,12,20H,3-6,11H2,1-2H3
InChIKey
WEBAZRPFMUVCHP-UHFFFAOYSA-N
Compound name
7-hexoxy-1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.17322 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.7
[M+Na]+ 305.16244 178.3
[M-H]- 281.16594 170.3
[M+NH4]+ 300.20704 185.8
[M+K]+ 321.13638 171.9
[M+H-H2O]+ 265.17048 160.6
[M+HCOO]- 327.17142 188.1
[M+CH3COO]- 341.18707 180.0
[M+Na-2H]- 303.14789 173.7
[M]+ 282.17267 173.2
[M]- 282.17377 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.