CID 121926

83910-44-5

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
InChIKey
ALBKMJDFBZVHAK-UHFFFAOYSA-N
Compound name
ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

22
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 194.3
[M+Na]+ 413.14718 202.7
[M-H]- 389.15068 199.3
[M+NH4]+ 408.19178 205.9
[M+K]+ 429.12112 197.0
[M+H-H2O]+ 373.15522 184.2
[M+HCOO]- 435.15616 212.7
[M+CH3COO]- 449.17181 203.8
[M+Na-2H]- 411.13263 197.2
[M]+ 390.15741 200.7
[M]- 390.15851 200.7
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