CID 135509307

5-decyl-2,6-dimethyl-4-pyrimidinol

Structural Information

Molecular Formula
C16H28N2O
SMILES
CCCCCCCCCCC1=C(N=C(NC1=O)C)C
InChI
InChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-15-13(2)17-14(3)18-16(15)19/h4-12H2,1-3H3,(H,17,18,19)
InChIKey
NSWAMROVEOOFGX-UHFFFAOYSA-N
Compound name
5-decyl-2,4-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 167.0
[M+Na]+ 287.20937 174.1
[M-H]- 263.21287 165.9
[M+NH4]+ 282.25397 181.1
[M+K]+ 303.18331 169.1
[M+H-H2O]+ 247.21741 159.0
[M+HCOO]- 309.21835 185.4
[M+CH3COO]- 323.23400 199.8
[M+Na-2H]- 285.19482 168.8
[M]+ 264.21960 170.5
[M]- 264.22070 170.5
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.