CID 127014

3-hydroxy carvedilol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

422.18417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 202.9
[M+Na]+ 445.17339 215.1
[M+NH4]+ 440.21799 208.7
[M+K]+ 461.14733 209.8
[M-H]- 421.17689 205.9
[M+Na-2H]- 443.15884 207.5
[M]+ 422.18362 205.3
[M]- 422.18472 205.3
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