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]+ 269.113206 158.9
[M+Na]+ 291.095148 165.2
[M-H]- 267.098654 155.1
[M+NH4]+ 286.139753 172.4
[M+K]+ 307.069088 160.9
[M+H-H2O]+ 251.103190 153.2
[M+HCOO]- 313.104131 171.9
[M+CH3COO]- 327.119781 190.0
[M+Na-2H]- 289.080596 159.6
[M]+ 268.10538142 155.7
[M]- 268.10647858 155.7
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.