CID 9979639

8-hydroxycarvedilol

Structural Information

Molecular Formula
C24H26N2O5
SMILES
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=C(N3)C(=CC=C4)O)O
InChI
InChI=1S/C24H26N2O5/c1-29-20-9-2-3-10-21(20)30-13-12-25-14-16(27)15-31-22-11-5-7-18-23(22)17-6-4-8-19(28)24(17)26-18/h2-11,16,25-28H,12-15H2,1H3
InChIKey
GPPVNZVFGNMPNR-UHFFFAOYSA-N
Compound name
5-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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 197.5
[M+Na]+ 445.17339 202.9
[M-H]- 421.17689 200.8
[M+NH4]+ 440.21799 207.3
[M+K]+ 461.14733 197.5
[M+H-H2O]+ 405.18143 188.3
[M+HCOO]- 467.18237 214.9
[M+CH3COO]- 481.19802 223.7
[M+Na-2H]- 443.15884 200.6
[M]+ 422.18362 202.0
[M]- 422.18472 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

No literature data available for this compound.

Patent stripe

patents stripe