CID 49766962

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

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCC(=O)OC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
InChI
InChI=1S/C15H14N2O2/c1-3-14(18)19-10-4-5-11-12-6-7-16-9(2)15(12)17-13(11)8-10/h4-8,17H,3H2,1-2H3
InChIKey
VQAKMJAHIXGOMW-UHFFFAOYSA-N
Compound name
(1-methyl-9H-pyrido[3,4-b]indol-7-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.10553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.112806 157.4
[M+Na]+ 277.094748 168.2
[M-H]- 253.098254 159.8
[M+NH4]+ 272.139353 175.4
[M+K]+ 293.068688 163.1
[M+H-H2O]+ 237.102790 150.0
[M+HCOO]- 299.103731 177.2
[M+CH3COO]- 313.119381 169.8
[M+Na-2H]- 275.080196 163.0
[M]+ 254.10498142 160.9
[M]- 254.10607858 160.9
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.