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

7
Patents

241.10626 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 149.3
[M+Na]+ 264.095478 160.6
[M-H]- 240.098984 151.5
[M+NH4]+ 259.140083 164.9
[M+K]+ 280.069418 158.4
[M+H-H2O]+ 224.103520 141.9
[M+HCOO]- 286.104461 173.2
[M+CH3COO]- 300.120111 196.7
[M+Na-2H]- 262.080926 153.9
[M]+ 241.10571142 155.4
[M]- 241.10680858 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