CID 68400

Triuret

Structural Information

Molecular Formula
C3H6N4O3
SMILES
C(=O)(N)NC(=O)NC(=O)N
InChI
InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)
InChIKey
WNVQBUHCOYRLPA-UHFFFAOYSA-N
Compound name
1,3-dicarbamoylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

2439
Patents

146.04399 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05127 127.3
[M+Na]+ 169.03321 132.6
[M-H]- 145.03671 127.2
[M+NH4]+ 164.07781 146.5
[M+K]+ 185.00715 133.6
[M+H-H2O]+ 129.04125 121.0
[M+HCOO]- 191.04219 153.1
[M+CH3COO]- 205.05784 180.7
[M+Na-2H]- 167.01866 130.7
[M]+ 146.04344 121.9
[M]- 146.04454 121.9
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.