CID 54717541

Schembl13917577

Structural Information

Molecular Formula
C18H21N3O6
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)O)OC)C
InChI
InChI=1S/C18H21N3O6/c1-18(2)17-20-13(14(23)16(25)21(17)6-7-27-18)15(24)19-9-10-4-5-11(22)12(8-10)26-3/h4-5,8,22-23H,6-7,9H2,1-3H3,(H,19,24)
InChIKey
DYCFSCKPGMELIW-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-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

375.14304 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15032 187.0
[M+Na]+ 398.13226 195.4
[M-H]- 374.13576 190.7
[M+NH4]+ 393.17686 196.6
[M+K]+ 414.10620 193.3
[M+H-H2O]+ 358.14030 177.9
[M+HCOO]- 420.14124 201.5
[M+CH3COO]- 434.15689 217.6
[M+Na-2H]- 396.11771 190.7
[M]+ 375.14249 190.1
[M]- 375.14359 190.1
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

No patent data available for this compound.