CID 54717556

Schembl13917595

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O
InChI
InChI=1S/C18H21N3O4/c1-11-4-6-12(7-5-11)10-19-15(23)13-14(22)16(24)21-8-9-25-18(2,3)17(21)20-13/h4-7,22H,8-10H2,1-3H3,(H,19,23)
InChIKey
PSUJEKDZMOPLCW-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-N-[(4-methylphenyl)methyl]-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

343.1532 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.160476 181.4
[M+Na]+ 366.142418 189.9
[M-H]- 342.145924 186.1
[M+NH4]+ 361.187023 193.0
[M+K]+ 382.116358 186.9
[M+H-H2O]+ 326.150460 172.1
[M+HCOO]- 388.151401 197.2
[M+CH3COO]- 402.167051 213.5
[M+Na-2H]- 364.127866 185.7
[M]+ 343.15265142 182.9
[M]- 343.15374858 182.9
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