CID 37910

Tolamolol

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC1=CC=CC=C1OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O
InChI
InChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)
InChIKey
SKQDKFOTIPJUSV-UHFFFAOYSA-N
Compound name
4-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

1208
Patents

344.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 183.7
[M+Na]+ 367.16282 193.3
[M+NH4]+ 362.20742 189.0
[M+K]+ 383.13676 187.8
[M-H]- 343.16632 186.8
[M+Na-2H]- 365.14827 189.2
[M]+ 344.17305 185.6
[M]- 344.17415 185.6
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