CID 115210

89592-45-0

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C
InChI
InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3
InChIKey
VMDUABMKBUKKPG-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

57
References

71
Patents

312.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.6
[M+Na]+ 335.13662 187.0
[M+NH4]+ 330.18122 180.5
[M+K]+ 351.11056 182.6
[M-H]- 311.14012 174.3
[M+Na-2H]- 333.12207 177.3
[M]+ 312.14685 175.7
[M]- 312.14795 175.7
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