CID 54717558

Schembl13917600

Structural Information

Molecular Formula
C18H21N3O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3OC)C
InChI
InChI=1S/C18H21N3O5/c1-18(2)17-20-13(14(22)16(24)21(17)8-9-26-18)15(23)19-10-11-6-4-5-7-12(11)25-3/h4-7,22H,8-10H2,1-3H3,(H,19,23)
InChIKey
SQVJHLQBMCUMPV-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[(2-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

9
Patents

359.14813 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15541 183.8
[M+Na]+ 382.13735 192.1
[M-H]- 358.14085 188.5
[M+NH4]+ 377.18195 194.6
[M+K]+ 398.11129 189.8
[M+H-H2O]+ 342.14539 174.3
[M+HCOO]- 404.14633 199.7
[M+CH3COO]- 418.16198 215.9
[M+Na-2H]- 380.12280 188.4
[M]+ 359.14758 186.7
[M]- 359.14868 186.7
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