CID 169502238

2-hydroxycarvedilol

Structural Information

Molecular Formula
C24H26N2O5
SMILES
COC1=CC=CC=C1OCCNCC(COC2=CC(=CC3=C2C4=CC=CC=C4N3)O)O
InChI
InChI=1S/C24H26N2O5/c1-29-21-8-4-5-9-22(21)30-11-10-25-14-17(28)15-31-23-13-16(27)12-20-24(23)18-6-2-3-7-19(18)26-20/h2-9,12-13,17,25-28H,10-11,14-15H2,1H3
InChIKey
YGMORIFWXMZUNP-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.18417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.191446 197.5
[M+Na]+ 445.173388 202.9
[M-H]- 421.176894 200.8
[M+NH4]+ 440.217993 207.3
[M+K]+ 461.147328 197.5
[M+H-H2O]+ 405.181430 188.3
[M+HCOO]- 467.182371 214.9
[M+CH3COO]- 481.198021 223.7
[M+Na-2H]- 443.158836 200.6
[M]+ 422.18362142 202.0
[M]- 422.18471858 202.0
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

No patent data available for this compound.