CID 123700

Zk-91296

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC=C3OCC4=CC=CC=C4
InChI
InChI=1S/C23H22N2O4/c1-3-28-23(26)22-16(14-27-2)20-18(12-24-22)25-17-10-7-11-19(21(17)20)29-13-15-8-5-4-6-9-15/h4-12,25H,3,13-14H2,1-2H3
InChIKey
WFPXOWCKXUEKCA-UHFFFAOYSA-N
Compound name
ethyl 4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

33
Patents

390.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16524 194.7
[M+Na]+ 413.14718 209.9
[M+NH4]+ 408.19178 201.4
[M+K]+ 429.12112 203.4
[M-H]- 389.15068 197.9
[M+Na-2H]- 411.13263 201.0
[M]+ 390.15741 197.8
[M]- 390.15851 197.8
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