CID 54717534

Schembl13917570

Structural Information

Molecular Formula
C18H19N3O6
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC4=C(C=C3)OCO4)C
InChI
InChI=1S/C18H19N3O6/c1-18(2)17-20-13(14(22)16(24)21(17)5-6-27-18)15(23)19-8-10-3-4-11-12(7-10)26-9-25-11/h3-4,7,22H,5-6,8-9H2,1-2H3,(H,19,23)
InChIKey
LOBMRBKBGKVUIP-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-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

373.12738 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13466 185.6
[M+Na]+ 396.11660 194.2
[M-H]- 372.12010 192.6
[M+NH4]+ 391.16120 195.7
[M+K]+ 412.09054 193.9
[M+H-H2O]+ 356.12464 177.3
[M+HCOO]- 418.12558 198.7
[M+CH3COO]- 432.14123 195.6
[M+Na-2H]- 394.10205 190.1
[M]+ 373.12683 189.4
[M]- 373.12793 189.4
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

No patent data available for this compound.