CID 135489837

Nsc684039

Structural Information

Molecular Formula
C5H6N6O4
SMILES
C1=NC(=C(N1)[N+](=O)[O-])C(=O)NNC(=O)N
InChI
InChI=1S/C5H6N6O4/c6-5(13)10-9-4(12)2-3(11(14)15)8-1-7-2/h1H,(H,7,8)(H,9,12)(H3,6,10,13)
InChIKey
YHUAXGVTPFKBRR-UHFFFAOYSA-N
Compound name
[(5-nitro-1H-imidazole-4-carbonyl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04506 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05234 135.7
[M+Na]+ 237.03428 140.8
[M-H]- 213.03778 135.8
[M+NH4]+ 232.07888 150.2
[M+K]+ 253.00822 135.9
[M+H-H2O]+ 197.04232 132.2
[M+HCOO]- 259.04326 160.6
[M+CH3COO]- 273.05891 180.5
[M+Na-2H]- 235.01973 142.9
[M]+ 214.04451 129.3
[M]- 214.04561 129.3
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.