CID 54690598

Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

Structural Information

Molecular Formula
C18H21N3O6
SMILES
CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H21N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9,22H,10H2,1-4H3,(H,20,25)
InChIKey
SNDXNBICJATRDW-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

375.14304 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15032 186.2
[M+Na]+ 398.13226 193.2
[M-H]- 374.13576 189.7
[M+NH4]+ 393.17686 194.5
[M+K]+ 414.10620 191.1
[M+H-H2O]+ 358.14030 176.9
[M+HCOO]- 420.14124 204.1
[M+CH3COO]- 434.15689 217.6
[M+Na-2H]- 396.11771 188.6
[M]+ 375.14249 191.1
[M]- 375.14359 191.1
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