CID 9552113

18161-97-2

Structural Information

Molecular Formula
C10H14N8O4
SMILES
C1=CN(C(=O)N(C1=O)C/C=N/NC(=O)N)C/C=N/NC(=O)N
InChI
InChI=1S/C10H14N8O4/c11-8(20)15-13-2-5-17-4-1-7(19)18(10(17)22)6-3-14-16-9(12)21/h1-4H,5-6H2,(H3,11,15,20)(H3,12,16,21)/b13-2+,14-3+
InChIKey
LDKFPKGVDCWPBJ-BEMXLOBJSA-N
Compound name
[(E)-2-[3-[(2E)-2-(carbamoylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1138 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12108 164.5
[M+Na]+ 333.10302 170.8
[M-H]- 309.10652 168.3
[M+NH4]+ 328.14762 175.5
[M+K]+ 349.07696 169.6
[M+H-H2O]+ 293.11106 154.2
[M+HCOO]- 355.11200 193.8
[M+CH3COO]- 369.12765 221.9
[M+Na-2H]- 331.08847 169.5
[M]+ 310.11325 163.9
[M]- 310.11435 163.9
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.