CID 11588374

2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-6-(1-piperidyl)pyrimidin-1-yl]acetonitrile

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=C(N(C2=O)CC#N)N3CCCCC3)C
InChI
InChI=1S/C20H24N4O2/c1-15-10-16(2)12-17(11-15)14-24-19(25)13-18(22-7-4-3-5-8-22)23(9-6-21)20(24)26/h10-13H,3-5,7-9,14H2,1-2H3
InChIKey
HGFCXZQSCQKKTE-UHFFFAOYSA-N
Compound name
2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-6-piperidin-1-ylpyrimidin-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 183.4
[M+Na]+ 375.17912 192.9
[M-H]- 351.18262 186.5
[M+NH4]+ 370.22372 190.7
[M+K]+ 391.15306 185.3
[M+H-H2O]+ 335.18716 165.4
[M+HCOO]- 397.18810 195.7
[M+CH3COO]- 411.20375 224.6
[M+Na-2H]- 373.16457 182.9
[M]+ 352.18935 177.0
[M]- 352.19045 177.0
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

No patent data available for this compound.