CID 54717566

Schembl13917613

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC4=C(C=C3)OCC4)C
InChI
InChI=1S/C19H21N3O5/c1-19(2)18-21-14(15(23)17(25)22(18)6-8-27-19)16(24)20-10-11-3-4-13-12(9-11)5-7-26-13/h3-4,9,23H,5-8,10H2,1-2H3,(H,20,24)
InChIKey
UQIYVRDOXJXSBQ-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1-benzofuran-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

9
Patents

371.14813 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 186.0
[M+Na]+ 394.13735 194.2
[M-H]- 370.14085 192.2
[M+NH4]+ 389.18195 197.6
[M+K]+ 410.11129 192.1
[M+H-H2O]+ 354.14539 177.4
[M+HCOO]- 416.14633 199.7
[M+CH3COO]- 430.16198 195.7
[M+Na-2H]- 392.12280 189.6
[M]+ 371.14758 188.1
[M]- 371.14868 188.1
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

patents stripe