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]+ 269.12848 162.1
[M+Na]+ 291.11042 172.4
[M-H]- 267.11392 164.3
[M+NH4]+ 286.15502 179.6
[M+K]+ 307.08436 167.1
[M+H-H2O]+ 251.11846 154.5
[M+HCOO]- 313.11940 181.6
[M+CH3COO]- 327.13505 174.0
[M+Na-2H]- 289.09587 167.1
[M]+ 268.12065 166.0
[M]- 268.12175 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.