CID 49766963

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

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCCC(=O)OC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C16H16N2O2/c1-3-4-15(19)20-11-5-6-12-13-7-8-17-10(2)16(13)18-14(12)9-11/h5-9,18H,3-4H2,1-2H3
InChIKey
XANXATDAHHAZTI-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 162.1
[M+Na]+ 291.110418 172.4
[M-H]- 267.113924 164.3
[M+NH4]+ 286.155023 179.6
[M+K]+ 307.084358 167.1
[M+H-H2O]+ 251.118460 154.5
[M+HCOO]- 313.119401 181.6
[M+CH3COO]- 327.135051 174.0
[M+Na-2H]- 289.095866 167.1
[M]+ 268.12065142 166.0
[M]- 268.12174858 166.0
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.