CID 135547434

6-[3-(allyloxy)benzyl]-2-dimethylamino-5-ethyl-1h-pyrimidine-4-one

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCC1=C(N=C(NC1=O)N(C)C)CC2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C18H23N3O2/c1-5-10-23-14-9-7-8-13(11-14)12-16-15(6-2)17(22)20-18(19-16)21(3)4/h5,7-9,11H,1,6,10,12H2,2-4H3,(H,19,20,22)
InChIKey
FDMAZQYZOWGYAS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-5-ethyl-4-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 176.0
[M+Na]+ 336.16824 183.8
[M-H]- 312.17174 180.2
[M+NH4]+ 331.21284 188.0
[M+K]+ 352.14218 179.0
[M+H-H2O]+ 296.17628 166.2
[M+HCOO]- 358.17722 197.1
[M+CH3COO]- 372.19287 212.4
[M+Na-2H]- 334.15369 178.4
[M]+ 313.17847 179.2
[M]- 313.17957 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.