CID 54717365

Schembl13917331

Structural Information

Molecular Formula
C16H15Cl2N3O4
SMILES
CC1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H15Cl2N3O4/c1-8-14-20-12(13(22)16(24)21(14)4-5-25-8)15(23)19-7-9-2-3-10(17)11(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKey
ALAKSLMTQSBWKT-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

383.04398 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05126 183.8
[M+Na]+ 406.03320 193.9
[M-H]- 382.03670 187.9
[M+NH4]+ 401.07780 193.4
[M+K]+ 422.00714 188.8
[M+H-H2O]+ 366.04124 175.9
[M+HCOO]- 428.04218 190.7
[M+CH3COO]- 442.05783 217.1
[M+Na-2H]- 404.01865 186.1
[M]+ 383.04343 188.2
[M]- 383.04453 188.2
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.