CID 54717576

Schembl13917627

Structural Information

Molecular Formula
C21H26N4O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3N4CCOCC4)C
InChI
InChI=1S/C21H26N4O5/c1-21(2)20-23-16(17(26)19(28)25(20)9-12-30-21)18(27)22-13-14-5-3-4-6-15(14)24-7-10-29-11-8-24/h3-6,26H,7-13H2,1-2H3,(H,22,27)
InChIKey
BVGFABVYITWSKI-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-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

11
Patents

414.1903 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19758 201.6
[M+Na]+ 437.17952 206.9
[M-H]- 413.18302 207.4
[M+NH4]+ 432.22412 206.4
[M+K]+ 453.15346 204.7
[M+H-H2O]+ 397.18756 189.4
[M+HCOO]- 459.18850 211.0
[M+CH3COO]- 473.20415 208.4
[M+Na-2H]- 435.16497 204.0
[M]+ 414.18975 199.6
[M]- 414.19085 199.6
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

patents stripe