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]+ 283.180496 168.7
[M+Na]+ 305.162438 178.3
[M-H]- 281.165944 170.3
[M+NH4]+ 300.207043 185.8
[M+K]+ 321.136378 171.9
[M+H-H2O]+ 265.170480 160.6
[M+HCOO]- 327.171421 188.1
[M+CH3COO]- 341.187071 180.0
[M+Na-2H]- 303.147886 173.7
[M]+ 282.17267142 173.2
[M]- 282.17376858 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.