CID 135499499

2-methoxy-5-methyl-4-(m-tolylmethyl)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=CC(=CC=C1)CC2=C(C(=O)NC(=N2)OC)C
InChI
InChI=1S/C14H16N2O2/c1-9-5-4-6-11(7-9)8-12-10(2)13(17)16-14(15-12)18-3/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKey
OQFMFKRUYMMIRA-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.2
[M+Na]+ 267.11041 165.4
[M-H]- 243.11391 158.7
[M+NH4]+ 262.15501 169.9
[M+K]+ 283.08435 160.6
[M+H-H2O]+ 227.11845 146.8
[M+HCOO]- 289.11939 176.0
[M+CH3COO]- 303.13504 192.8
[M+Na-2H]- 265.09586 159.9
[M]+ 244.12064 157.2
[M]- 244.12174 157.2
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.