CID 3052609

69094-09-3

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCCN3CCCCC3
InChI
InChI=1S/C19H25N3O3/c1-14-16(18(23)25-13-12-22-10-6-3-7-11-22)17(21-19(24)20-14)15-8-4-2-5-9-15/h2,4-5,8-9,17H,3,6-7,10-13H2,1H3,(H2,20,21,24)
InChIKey
OAXZLSHZSJZQIB-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 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

343.1896 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 185.1
[M+Na]+ 366.17882 187.5
[M-H]- 342.18232 186.3
[M+NH4]+ 361.22342 191.9
[M+K]+ 382.15276 181.6
[M+H-H2O]+ 326.18686 173.9
[M+HCOO]- 388.18780 194.7
[M+CH3COO]- 402.20345 206.6
[M+Na-2H]- 364.16427 183.8
[M]+ 343.18905 177.2
[M]- 343.19015 177.2
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.