CID 54717372

Schembl13917338

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CCC1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)C)C
InChI
InChI=1S/C19H23N3O4/c1-4-14-17-21-15(16(23)19(25)22(17)7-8-26-14)18(24)20-10-13-6-5-11(2)12(3)9-13/h5-6,9,14,23H,4,7-8,10H2,1-3H3,(H,20,24)
InChIKey
PMCRCJOINPABMJ-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)methyl]-9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

357.16885 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 187.6
[M+Na]+ 380.15807 195.4
[M-H]- 356.16157 192.1
[M+NH4]+ 375.20267 196.7
[M+K]+ 396.13201 191.8
[M+H-H2O]+ 340.16611 177.7
[M+HCOO]- 402.16705 202.9
[M+CH3COO]- 416.18270 218.4
[M+Na-2H]- 378.14352 189.3
[M]+ 357.16830 189.3
[M]- 357.16940 189.3
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

patents stripe