CID 11038364

N-benzylcarvedilol

Structural Information

Molecular Formula
C31H32N2O4
SMILES
COC1=CC=CC=C1OCCN(CC2=CC=CC=C2)CC(COC3=CC=CC4=C3C5=CC=CC=C5N4)O
InChI
InChI=1S/C31H32N2O4/c1-35-28-15-7-8-16-29(28)36-19-18-33(20-23-10-3-2-4-11-23)21-24(34)22-37-30-17-9-14-27-31(30)25-12-5-6-13-26(25)32-27/h2-17,24,32,34H,18-22H2,1H3
InChIKey
FFZGDNBZNMTOCK-UHFFFAOYSA-N
Compound name
1-[benzyl-[2-(2-methoxyphenoxy)ethyl]amino]-3-(9H-carbazol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

496.2362 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.24348 225.3
[M+Na]+ 519.22542 239.7
[M+NH4]+ 514.27002 232.2
[M+K]+ 535.19936 231.7
[M-H]- 495.22892 232.1
[M+Na-2H]- 517.21087 233.5
[M]+ 496.23565 229.4
[M]- 496.23675 229.4
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