CID 15567681

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

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)CCCCC(=O)O
InChI
InChI=1S/C13H20N2O5/c1-2-3-7-13(8-5-4-6-9(16)17)10(18)14-12(20)15-11(13)19/h2-8H2,1H3,(H,16,17)(H2,14,15,18,19,20)
InChIKey
OWYINPDSMPFVJL-UHFFFAOYSA-N
Compound name
5-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.144476 164.6
[M+Na]+ 307.126418 170.1
[M-H]- 283.129924 160.6
[M+NH4]+ 302.171023 177.5
[M+K]+ 323.100358 166.3
[M+H-H2O]+ 267.134460 158.6
[M+HCOO]- 329.135401 177.1
[M+CH3COO]- 343.151051 193.8
[M+Na-2H]- 305.111866 164.8
[M]+ 284.13665142 162.5
[M]- 284.13774858 162.5
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

patents stripe