CID 492372

6-benzyl-1-(ethoxymethyl)-2,4-dioxo-pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CCOCN1C(=C(C(=O)NC1=O)C=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O4/c1-2-21-10-17-13(8-11-6-4-3-5-7-11)12(9-18)14(19)16-15(17)20/h3-7,9H,2,8,10H2,1H3,(H,16,19,20)
InChIKey
PWSJPKXVCPNUHA-UHFFFAOYSA-N
Compound name
6-benzyl-1-(ethoxymethyl)-2,4-dioxopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 163.6
[M+Na]+ 311.10022 173.4
[M-H]- 287.10372 166.9
[M+NH4]+ 306.14482 176.0
[M+K]+ 327.07416 168.6
[M+H-H2O]+ 271.10826 154.5
[M+HCOO]- 333.10920 184.7
[M+CH3COO]- 347.12485 198.7
[M+Na-2H]- 309.08567 167.8
[M]+ 288.11045 167.3
[M]- 288.11155 167.3
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.