CID 135541356

Chembl229199

Structural Information

Molecular Formula
C15H15N3O2
SMILES
C1=CC=C(C=C1)CCC2=CC(=NC=N2)/C=C(/C(=O)N)\O
InChI
InChI=1S/C15H15N3O2/c16-15(20)14(19)9-13-8-12(17-10-18-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2,(H2,16,20)/b14-9-
InChIKey
MWEWYYDAFBRKNJ-ZROIWOOFSA-N
Compound name
(Z)-2-hydroxy-3-[6-(2-phenylethyl)pyrimidin-4-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

269.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 162.8
[M+Na]+ 292.10564 168.5
[M-H]- 268.10914 164.7
[M+NH4]+ 287.15024 174.6
[M+K]+ 308.07958 163.6
[M+H-H2O]+ 252.11368 153.5
[M+HCOO]- 314.11462 181.9
[M+CH3COO]- 328.13027 196.9
[M+Na-2H]- 290.09109 166.4
[M]+ 269.11587 160.1
[M]- 269.11697 160.1
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