CID 54717485

Schembl13917488

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C
InChI
InChI=1S/C23H23N3O4/c1-23(2)22-25-18(19(27)21(29)26(22)12-13-30-23)20(28)24-14-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,27H,12-14H2,1-2H3,(H,24,28)
InChIKey
WTLNVHDNJVDCQX-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-4-oxo-N-[(2-phenylphenyl)methyl]-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

405.16885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 199.1
[M+Na]+ 428.15807 206.4
[M-H]- 404.16157 206.4
[M+NH4]+ 423.20267 207.2
[M+K]+ 444.13201 202.0
[M+H-H2O]+ 388.16611 187.3
[M+HCOO]- 450.16705 214.2
[M+CH3COO]- 464.18270 207.4
[M+Na-2H]- 426.14352 202.9
[M]+ 405.16830 199.3
[M]- 405.16940 199.3
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