CID 105078

74214-62-3

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
InChIKey
KOVRZNUMIKACTB-UHFFFAOYSA-N
Compound name
ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

247
References

314
Patents

240.08987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.5
[M+Na]+ 263.07909 166.8
[M+NH4]+ 258.12369 160.7
[M+K]+ 279.05303 161.5
[M-H]- 239.08259 153.8
[M+Na-2H]- 261.06454 158.5
[M]+ 240.08932 154.8
[M]- 240.09042 154.8
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