CID 493410

17994-63-7

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)C
InChI
InChI=1S/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-6-4-5-7-10(9)15/h4-7,12H,3H2,1-2H3,(H2,16,17,19)
InChIKey
BAKBIOFRSIUKMG-UHFFFAOYSA-N
Compound name
ethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

7
Patents

294.07712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08440 165.0
[M+Na]+ 317.06634 173.3
[M-H]- 293.06984 166.4
[M+NH4]+ 312.11094 177.4
[M+K]+ 333.04028 167.2
[M+H-H2O]+ 277.07438 157.6
[M+HCOO]- 339.07532 176.3
[M+CH3COO]- 353.09097 196.4
[M+Na-2H]- 315.05179 165.8
[M]+ 294.07657 164.4
[M]- 294.07767 164.4
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