CID 5482462

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

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCCCCCCCCCOC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C22H30N2O/c1-3-4-5-6-7-8-9-10-15-25-18-11-12-19-20-13-14-23-17(2)22(20)24-21(19)16-18/h11-14,16,24H,3-10,15H2,1-2H3
InChIKey
GBTQAYJFMPQFPQ-UHFFFAOYSA-N
Compound name
7-decoxy-1-methyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.2358 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 187.1
[M+Na]+ 361.225018 194.8
[M-H]- 337.228524 187.9
[M+NH4]+ 356.269623 201.8
[M+K]+ 377.198958 187.4
[M+H-H2O]+ 321.233060 178.1
[M+HCOO]- 383.234001 205.1
[M+CH3COO]- 397.249651 213.0
[M+Na-2H]- 359.210466 189.9
[M]+ 338.23525142 192.8
[M]- 338.23634858 192.8
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.