CID 4181439

5'-hydroxyphenyl carvedilol

Structural Information

Molecular Formula
C24H26N2O5
SMILES
COC1=C(C=C(C=C1)O)OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI
InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3
InChIKey
PVUVZUBTCLBJMT-UHFFFAOYSA-N
Compound name
3-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7
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