CID 28468159

1018301-05-7

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CN1C(=C(C(=O)N(C1=O)C)C=O)NCCOC
InChI
InChI=1S/C10H15N3O4/c1-12-8(11-4-5-17-3)7(6-14)9(15)13(2)10(12)16/h6,11H,4-5H2,1-3H3
InChIKey
FSURXRBHEILVMO-UHFFFAOYSA-N
Compound name
4-(2-methoxyethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.10626 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 149.3
[M+Na]+ 264.09548 160.6
[M-H]- 240.09898 151.5
[M+NH4]+ 259.14008 164.9
[M+K]+ 280.06942 158.4
[M+H-H2O]+ 224.10352 141.9
[M+HCOO]- 286.10446 173.2
[M+CH3COO]- 300.12011 196.7
[M+Na-2H]- 262.08093 153.9
[M]+ 241.10571 155.4
[M]- 241.10681 155.4
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

patents stripe