CID 234955

Ethyl (6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)carbamate

Structural Information

Molecular Formula
C9H14N4O4
SMILES
CCOC(=O)NC1=C(N(C(=O)N(C1=O)C)C)N
InChI
InChI=1S/C9H14N4O4/c1-4-17-8(15)11-5-6(10)12(2)9(16)13(3)7(5)14/h4,10H2,1-3H3,(H,11,15)
InChIKey
HGUYJIVJBOSARA-UHFFFAOYSA-N
Compound name
ethyl N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

242.1015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10878 150.9
[M+Na]+ 265.09072 161.6
[M-H]- 241.09422 153.0
[M+NH4]+ 260.13532 166.0
[M+K]+ 281.06466 159.9
[M+H-H2O]+ 225.09876 143.4
[M+HCOO]- 287.09970 174.6
[M+CH3COO]- 301.11535 198.0
[M+Na-2H]- 263.07617 154.0
[M]+ 242.10095 154.1
[M]- 242.10205 154.1
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