CID 4369374

5-amino 6-nitro uracil

Structural Information

Molecular Formula
C4H4N4O4
SMILES
C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N
InChI
InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)
InChIKey
CLOSWQFGCBFNCK-UHFFFAOYSA-N
Compound name
5-amino-6-nitro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

172.02325 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03053 126.2
[M+Na]+ 195.01247 135.9
[M-H]- 171.01597 125.6
[M+NH4]+ 190.05707 141.5
[M+K]+ 210.98641 128.5
[M+H-H2O]+ 155.02051 124.4
[M+HCOO]- 217.02145 149.2
[M+CH3COO]- 231.03710 167.5
[M+Na-2H]- 192.99792 135.0
[M]+ 172.02270 121.1
[M]- 172.02380 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe