CID 123662

76808-18-9

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C15H14N2O2/c1-2-7-19-15(18)13-8-11-10-5-3-4-6-12(10)17-14(11)9-16-13/h3-6,8-9,17H,2,7H2,1H3
InChIKey
WGRVAGIQTHEEQW-UHFFFAOYSA-N
Compound name
propyl 9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

106
Patents

254.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.0
[M+Na]+ 277.09475 171.2
[M+NH4]+ 272.13935 165.1
[M+K]+ 293.06869 165.6
[M-H]- 253.09825 158.4
[M+Na-2H]- 275.08020 162.8
[M]+ 254.10498 159.4
[M]- 254.10608 159.4
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

patents stripe