CID 16205726

92377-37-2

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CCCCCC1=C(NC(=O)N(C1=O)CCCC)C
InChI
InChI=1S/C14H24N2O2/c1-4-6-8-9-12-11(3)15-14(18)16(13(12)17)10-7-5-2/h4-10H2,1-3H3,(H,15,18)
InChIKey
ADCBMRZVEQUIMB-UHFFFAOYSA-N
Compound name
3-butyl-6-methyl-5-pentyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 159.6
[M+Na]+ 275.17300 168.8
[M-H]- 251.17650 159.4
[M+NH4]+ 270.21760 174.5
[M+K]+ 291.14694 164.3
[M+H-H2O]+ 235.18104 152.2
[M+HCOO]- 297.18198 179.2
[M+CH3COO]- 311.19763 196.4
[M+Na-2H]- 273.15845 161.8
[M]+ 252.18323 163.6
[M]- 252.18433 163.6
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.