CID 54717514

Schembl13917544

Structural Information

Molecular Formula
C26H24N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=CC5=CC=CC=C5N=C4)C
InChI
InChI=1S/C26H24N4O4/c1-26(2)25-29-21(22(31)24(33)30(25)11-12-34-26)23(32)28-14-17-8-3-5-9-19(17)18-13-16-7-4-6-10-20(16)27-15-18/h3-10,13,15,31H,11-12,14H2,1-2H3,(H,28,32)
InChIKey
WWUGMEZXFASHIJ-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-4-oxo-N-[(2-quinolin-3-ylphenyl)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

456.17975 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18703 213.4
[M+Na]+ 479.16897 221.3
[M-H]- 455.17247 220.2
[M+NH4]+ 474.21357 218.7
[M+K]+ 495.14291 215.7
[M+H-H2O]+ 439.17701 199.6
[M+HCOO]- 501.17795 225.3
[M+CH3COO]- 515.19360 220.2
[M+Na-2H]- 477.15442 217.7
[M]+ 456.17920 213.9
[M]- 456.18030 213.9
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.