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]+ 297.159746 171.5
[M+Na]+ 319.141688 180.8
[M-H]- 295.145194 173.2
[M+NH4]+ 314.186293 187.7
[M+K]+ 335.115628 175.0
[M+H-H2O]+ 279.149730 163.4
[M+HCOO]- 341.150671 190.2
[M+CH3COO]- 355.166321 202.8
[M+Na-2H]- 317.127136 175.4
[M]+ 296.15192142 175.9
[M]- 296.15301858 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.