CID 2585

Carvedilol

Structural Information

Molecular Formula
C24H26N2O4
SMILES
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI
InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChIKey
OGHNVEJMJSYVRP-UHFFFAOYSA-N
Compound name
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3803
References

31489
Patents

406.18927 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 194.9
[M+Na]+ 429.17849 200.3
[M-H]- 405.18199 199.2
[M+NH4]+ 424.22309 205.9
[M+K]+ 445.15243 194.6
[M+H-H2O]+ 389.18653 185.4
[M+HCOO]- 451.18747 213.8
[M+CH3COO]- 465.20312 203.3
[M+Na-2H]- 427.16394 198.9
[M]+ 406.18872 199.3
[M]- 406.18982 199.3
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

No patent data available for this compound.