CID 54717571

Schembl13917622

Structural Information

Molecular Formula
C17H20N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3N)C
InChI
InChI=1S/C17H20N4O4/c1-17(2)16-20-12(13(22)15(24)21(16)7-8-25-17)14(23)19-9-10-5-3-4-6-11(10)18/h3-6,22H,7-9,18H2,1-2H3,(H,19,23)
InChIKey
JCIMAZMCTQLWCH-UHFFFAOYSA-N
Compound name
N-[(2-aminophenyl)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

9
Patents

344.14847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.155746 181.6
[M+Na]+ 367.137688 189.7
[M-H]- 343.141194 186.0
[M+NH4]+ 362.182293 192.5
[M+K]+ 383.111628 186.6
[M+H-H2O]+ 327.145730 172.3
[M+HCOO]- 389.146671 198.1
[M+CH3COO]- 403.162321 215.6
[M+Na-2H]- 365.123136 186.0
[M]+ 344.14792142 181.2
[M]- 344.14901858 181.2
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

patents stripe