CID 155763

O-desmethylcarvedilol

Structural Information

Molecular Formula
C23H24N2O4
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CNCCOC4=CC=CC=C4O)O
InChI
InChI=1S/C23H24N2O4/c26-16(14-24-12-13-28-21-10-4-3-9-20(21)27)15-29-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,24-27H,12-15H2
InChIKey
XAUKPPPYYOKVQJ-UHFFFAOYSA-N
Compound name
2-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

18
Patents

392.1736 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 189.6
[M+Na]+ 415.16282 195.0
[M-H]- 391.16632 192.8
[M+NH4]+ 410.20742 200.5
[M+K]+ 431.13676 188.8
[M+H-H2O]+ 375.17086 180.7
[M+HCOO]- 437.17180 207.3
[M+CH3COO]- 451.18745 197.8
[M+Na-2H]- 413.14827 193.8
[M]+ 392.17305 192.0
[M]- 392.17415 192.0
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