CID 54717551

Schembl13917588

Structural Information

Molecular Formula
C19H23N3O6
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=CC(=C3)OC)OC)C
InChI
InChI=1S/C19H23N3O6/c1-19(2)18-21-14(15(23)17(25)22(18)7-8-28-19)16(24)20-10-11-9-12(26-3)5-6-13(11)27-4/h5-6,9,23H,7-8,10H2,1-4H3,(H,20,24)
InChIKey
LCTCCTQXEZAWAL-UHFFFAOYSA-N
Compound name
N-[(2,5-dimethoxyphenyl)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

389.1587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16598 190.8
[M+Na]+ 412.14792 199.1
[M-H]- 388.15142 195.6
[M+NH4]+ 407.19252 200.4
[M+K]+ 428.12186 197.6
[M+H-H2O]+ 372.15596 181.1
[M+HCOO]- 434.15690 206.4
[M+CH3COO]- 448.17255 222.6
[M+Na-2H]- 410.13337 194.4
[M]+ 389.15815 195.9
[M]- 389.15925 195.9
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