CID 68563

Primidolol

Structural Information

Molecular Formula
C17H23N3O4
SMILES
CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C17H23N3O4/c1-12-5-3-4-6-15(12)24-11-14(21)9-18-7-8-20-10-13(2)16(22)19-17(20)23/h3-6,10,14,18,21H,7-9,11H2,1-2H3,(H,19,22,23)
InChIKey
RETPFDTUCPKFEC-UHFFFAOYSA-N
Compound name
1-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1045
Patents

333.16885 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17613 179.2
[M+Na]+ 356.15807 190.8
[M+NH4]+ 351.20267 183.3
[M+K]+ 372.13201 185.5
[M-H]- 332.16157 180.1
[M+Na-2H]- 354.14352 184.1
[M]+ 333.16830 180.7
[M]- 333.16940 180.7
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