CID 3052611

69094-11-7

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CCN(CC)CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C
InChI
InChI=1S/C18H25N3O3/c1-4-21(5-2)11-12-24-17(22)15-13(3)19-18(23)20-16(15)14-9-7-6-8-10-14/h6-10,16H,4-5,11-12H2,1-3H3,(H2,19,20,23)
InChIKey
VFABEMAHSJEMRJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1896 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 181.1
[M+Na]+ 354.17882 191.1
[M+NH4]+ 349.22342 185.8
[M+K]+ 370.15276 185.8
[M-H]- 330.18232 182.4
[M+Na-2H]- 352.16427 185.2
[M]+ 331.18905 182.5
[M]- 331.19015 182.5
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.