CID 49766967

(1-methyl-9h-pyrido[3,4-b]indol-7-yl) octanoate

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCCCCCCC(=O)OC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C20H24N2O2/c1-3-4-5-6-7-8-19(23)24-15-9-10-16-17-11-12-21-14(2)20(17)22-18(16)13-15/h9-13,22H,3-8H2,1-2H3
InChIKey
NPRNCGYAQURUOK-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.18378 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 180.8
[M+Na]+ 347.17300 189.2
[M-H]- 323.17650 182.1
[M+NH4]+ 342.21760 195.8
[M+K]+ 363.14694 182.9
[M+H-H2O]+ 307.18104 172.3
[M+HCOO]- 369.18198 198.8
[M+CH3COO]- 383.19763 208.6
[M+Na-2H]- 345.15845 183.6
[M]+ 324.18323 185.9
[M]- 324.18433 185.9
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.