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
4
Annotation Hits

5
References

1112
Patents

333.16885 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.176126 178.2
[M+Na]+ 356.158068 185.1
[M-H]- 332.161574 179.8
[M+NH4]+ 351.202673 187.7
[M+K]+ 372.132008 180.2
[M+H-H2O]+ 316.166110 168.7
[M+HCOO]- 378.167051 196.9
[M+CH3COO]- 392.182701 209.3
[M+Na-2H]- 354.143516 180.2
[M]+ 333.16830142 180.1
[M]- 333.16939858 180.1
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