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
4
Annotation Hits

22
References

1364
Patents

344.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.180876 182.1
[M+Na]+ 367.162818 185.3
[M-H]- 343.166324 186.2
[M+NH4]+ 362.207423 193.2
[M+K]+ 383.136758 182.2
[M+H-H2O]+ 327.170860 172.9
[M+HCOO]- 389.171801 203.6
[M+CH3COO]- 403.187451 215.7
[M+Na-2H]- 365.148266 183.1
[M]+ 344.17305142 183.1
[M]- 344.17414858 183.1
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