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]+ 339.24308 187.1
[M+Na]+ 361.22502 194.8
[M-H]- 337.22852 187.9
[M+NH4]+ 356.26962 201.8
[M+K]+ 377.19896 187.4
[M+H-H2O]+ 321.23306 178.1
[M+HCOO]- 383.23400 205.1
[M+CH3COO]- 397.24965 213.0
[M+Na-2H]- 359.21047 189.9
[M]+ 338.23525 192.8
[M]- 338.23635 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.