CID 15567683

5-(5-allyl-2,4,6-trioxohexahydro-5-pyrimidinyl)pentanoic acid

Structural Information

Molecular Formula
C12H16N2O5
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)CCCCC(=O)O
InChI
InChI=1S/C12H16N2O5/c1-2-6-12(7-4-3-5-8(15)16)9(17)13-11(19)14-10(12)18/h2H,1,3-7H2,(H,15,16)(H2,13,14,17,18,19)
InChIKey
DYDMZKDSEWJVEB-UHFFFAOYSA-N
Compound name
5-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 162.2
[M+Na]+ 291.09515 169.3
[M+NH4]+ 286.13975 165.9
[M+K]+ 307.06909 164.6
[M-H]- 267.09865 157.6
[M+Na-2H]- 289.08060 162.4
[M]+ 268.10538 161.2
[M]- 268.10648 161.2
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.