CID 49766965

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

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCCCCC(=O)OC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C18H20N2O2/c1-3-4-5-6-17(21)22-13-7-8-14-15-9-10-19-12(2)18(15)20-16(14)11-13/h7-11,20H,3-6H2,1-2H3
InChIKey
VJDULYIVHJZMLL-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.5
[M+Na]+ 319.14169 180.8
[M-H]- 295.14519 173.2
[M+NH4]+ 314.18629 187.7
[M+K]+ 335.11563 175.0
[M+H-H2O]+ 279.14973 163.4
[M+HCOO]- 341.15067 190.2
[M+CH3COO]- 355.16632 202.8
[M+Na-2H]- 317.12714 175.4
[M]+ 296.15192 175.9
[M]- 296.15302 175.9
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.