CID 54717570

Schembl13917619

Structural Information

Molecular Formula
C22H28N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3N4CCCCC4)C
InChI
InChI=1S/C22H28N4O4/c1-22(2)21-24-17(18(27)20(29)26(21)12-13-30-22)19(28)23-14-15-8-4-5-9-16(15)25-10-6-3-7-11-25/h4-5,8-9,27H,3,6-7,10-14H2,1-2H3,(H,23,28)
InChIKey
UULPHRXMQFHPIG-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-4-oxo-N-[(2-piperidin-1-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

8
Patents

412.21106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.21834 201.6
[M+Na]+ 435.20028 206.4
[M-H]- 411.20378 206.5
[M+NH4]+ 430.24488 207.8
[M+K]+ 451.17422 202.4
[M+H-H2O]+ 395.20832 189.4
[M+HCOO]- 457.20926 211.4
[M+CH3COO]- 471.22491 208.0
[M+Na-2H]- 433.18573 203.1
[M]+ 412.21051 197.9
[M]- 412.21161 197.9
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.