CID 343213

Nsc382322

Structural Information

Molecular Formula
C10H14N4O5
SMILES
CNC(=O)C(C(=O)NC)N1C=NC(=C1O)C(=O)OC
InChI
InChI=1S/C10H14N4O5/c1-11-7(15)6(8(16)12-2)14-4-13-5(9(14)17)10(18)19-3/h4,6,17H,1-3H3,(H,11,15)(H,12,16)
InChIKey
YAIGSXHRICMZSC-UHFFFAOYSA-N
Compound name
methyl 1-[1,3-bis(methylamino)-1,3-dioxopropan-2-yl]-5-hydroxyimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0964 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10368 158.4
[M+Na]+ 293.08562 164.2
[M-H]- 269.08912 158.8
[M+NH4]+ 288.13022 172.4
[M+K]+ 309.05956 164.4
[M+H-H2O]+ 253.09366 150.7
[M+HCOO]- 315.09460 179.0
[M+CH3COO]- 329.11025 199.5
[M+Na-2H]- 291.07107 158.3
[M]+ 270.09585 159.9
[M]- 270.09695 159.9
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.