CID 54708354

Schembl4036710

Structural Information

Molecular Formula
C16H17ClN4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=NC=C(C=C3)Cl)C
InChI
InChI=1S/C16H17ClN4O4/c1-16(2)15-20-11(12(22)14(24)21(15)5-6-25-16)13(23)19-8-10-4-3-9(17)7-18-10/h3-4,7,22H,5-6,8H2,1-2H3,(H,19,23)
InChIKey
PHRXHNQLSCOVSP-UHFFFAOYSA-N
Compound name
N-[(5-chloropyridin-2-yl)methyl]-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

12
Patents

364.09384 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10112 181.9
[M+Na]+ 387.08306 191.9
[M-H]- 363.08656 185.4
[M+NH4]+ 382.12766 192.1
[M+K]+ 403.05700 187.7
[M+H-H2O]+ 347.09110 172.7
[M+HCOO]- 409.09204 192.5
[M+CH3COO]- 423.10769 214.0
[M+Na-2H]- 385.06851 186.9
[M]+ 364.09329 185.4
[M]- 364.09439 185.4
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