CID 156587156

3-oxo-n-(propan-2-yl)-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide

Structural Information

Molecular Formula
C24H23N5O4
SMILES
CC(C)N(CC1=CC=C(C=C1)C(=O)NC2=NC=NC=C2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4
InChI
InChI=1S/C24H23N5O4/c1-15(2)29(24(32)18-7-8-19-20(11-18)33-13-22(30)27-19)12-16-3-5-17(6-4-16)23(31)28-21-9-10-25-14-26-21/h3-11,14-15H,12-13H2,1-2H3,(H,27,30)(H,25,26,28,31)
InChIKey
HUIINGSTUYTZJL-UHFFFAOYSA-N
Compound name
3-oxo-N-propan-2-yl-N-[[4-(pyrimidin-4-ylcarbamoyl)phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.17502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 206.0
[M+Na]+ 468.16424 208.7
[M-H]- 444.16774 212.2
[M+NH4]+ 463.20884 208.3
[M+K]+ 484.13818 205.4
[M+H-H2O]+ 428.17228 193.1
[M+HCOO]- 490.17322 219.2
[M+CH3COO]- 504.18887 237.1
[M+Na-2H]- 466.14969 208.2
[M]+ 445.17447 204.5
[M]- 445.17557 204.5
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.