CID 15955819

N-[5-methyl-4-oxo-2-(phenethylamino)-3,1-benzoxazin-6-yl]-2-morpholin-2-yl-acetamide

Structural Information

Molecular Formula
C23H26N4O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NCCC3=CC=CC=C3)NC(=O)CC4CNCCO4
InChI
InChI=1S/C23H26N4O4/c1-15-18(26-20(28)13-17-14-24-11-12-30-17)7-8-19-21(15)22(29)31-23(27-19)25-10-9-16-5-3-2-4-6-16/h2-8,17,24H,9-14H2,1H3,(H,25,27)(H,26,28)
InChIKey
PRWSZGQUYFJDJY-UHFFFAOYSA-N
Compound name
N-[5-methyl-4-oxo-2-(2-phenylethylamino)-3,1-benzoxazin-6-yl]-2-morpholin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 203.5
[M+Na]+ 445.18462 207.3
[M-H]- 421.18812 210.3
[M+NH4]+ 440.22922 206.9
[M+K]+ 461.15856 203.4
[M+H-H2O]+ 405.19266 191.1
[M+HCOO]- 467.19360 217.3
[M+CH3COO]- 481.20925 210.1
[M+Na-2H]- 443.17007 207.1
[M]+ 422.19485 201.6
[M]- 422.19595 201.6
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.