CID 385154

Nsc676166

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CCOC(=O)CC(=O)C(=O)NNC1=NCCCN1
InChI
InChI=1S/C10H16N4O4/c1-2-18-8(16)6-7(15)9(17)13-14-10-11-4-3-5-12-10/h2-6H2,1H3,(H,13,17)(H2,11,12,14)
InChIKey
RLOKRMNFILNMNQ-UHFFFAOYSA-N
Compound name
ethyl 3,4-dioxo-4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinyl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.11716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 157.3
[M+Na]+ 279.10638 160.1
[M-H]- 255.10988 155.9
[M+NH4]+ 274.15098 169.5
[M+K]+ 295.08032 159.2
[M+H-H2O]+ 239.11442 148.8
[M+HCOO]- 301.11536 175.1
[M+CH3COO]- 315.13101 193.9
[M+Na-2H]- 277.09183 160.0
[M]+ 256.11661 153.7
[M]- 256.11771 153.7
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.