CID 54717549

Schembl13917586

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC1=C(C(=CC=C1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O)C
InChI
InChI=1S/C19H23N3O4/c1-11-6-5-7-13(12(11)2)10-20-16(24)14-15(23)17(25)22-8-9-26-19(3,4)18(22)21-14/h5-7,23H,8-10H2,1-4H3,(H,20,24)
InChIKey
ZIRPQKUOYAMEDZ-UHFFFAOYSA-N
Compound name
N-[(2,3-dimethylphenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 186.0
[M+Na]+ 380.15807 195.0
[M-H]- 356.16157 191.0
[M+NH4]+ 375.20267 197.4
[M+K]+ 396.13201 191.9
[M+H-H2O]+ 340.16611 176.8
[M+HCOO]- 402.16705 201.5
[M+CH3COO]- 416.18270 217.9
[M+Na-2H]- 378.14352 189.2
[M]+ 357.16830 188.3
[M]- 357.16940 188.3
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