CID 54717565

Schembl13917611

Structural Information

Molecular Formula
C19H23N3O5
SMILES
CCOC1=CC=CC(=C1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O
InChI
InChI=1S/C19H23N3O5/c1-4-26-13-7-5-6-12(10-13)11-20-16(24)14-15(23)17(25)22-8-9-27-19(2,3)18(22)21-14/h5-7,10,23H,4,8-9,11H2,1-3H3,(H,20,24)
InChIKey
BSNFUOPCQLZQOT-UHFFFAOYSA-N
Compound name
N-[(3-ethoxyphenyl)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

8
Patents

373.16376 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17104 188.2
[M+Na]+ 396.15298 196.0
[M-H]- 372.15648 192.7
[M+NH4]+ 391.19758 198.4
[M+K]+ 412.12692 193.5
[M+H-H2O]+ 356.16102 178.5
[M+HCOO]- 418.16196 203.8
[M+CH3COO]- 432.17761 218.8
[M+Na-2H]- 394.13843 192.3
[M]+ 373.16321 191.4
[M]- 373.16431 191.4
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