CID 54717482

Schembl13917482

Structural Information

Molecular Formula
C22H23N5O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=CN=C(C=C4)N)C
InChI
InChI=1S/C22H23N5O4/c1-22(2)21-26-17(18(28)20(30)27(21)9-10-31-22)19(29)25-12-13-5-3-4-6-15(13)14-7-8-16(23)24-11-14/h3-8,11,28H,9-10,12H2,1-2H3,(H2,23,24)(H,25,29)
InChIKey
NVTCZMVXSLUUHM-UHFFFAOYSA-N
Compound name
N-[[2-(6-aminopyridin-3-yl)phenyl]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

421.17502 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18230 204.2
[M+Na]+ 444.16424 212.0
[M-H]- 420.16774 210.3
[M+NH4]+ 439.20884 210.0
[M+K]+ 460.13818 207.3
[M+H-H2O]+ 404.17228 192.1
[M+HCOO]- 466.17322 218.6
[M+CH3COO]- 480.18887 211.7
[M+Na-2H]- 442.14969 207.7
[M]+ 421.17447 203.6
[M]- 421.17557 203.6
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.