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]+ 255.11281 157.4
[M+Na]+ 277.09475 168.2
[M-H]- 253.09825 159.8
[M+NH4]+ 272.13935 175.4
[M+K]+ 293.06869 163.1
[M+H-H2O]+ 237.10279 150.0
[M+HCOO]- 299.10373 177.2
[M+CH3COO]- 313.11938 169.8
[M+Na-2H]- 275.08020 163.0
[M]+ 254.10498 160.9
[M]- 254.10608 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.