CID 15955814

Methyl (2s)-2-[[6-(furan-2-carbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate

Structural Information

Molecular Formula
C24H21N3O6
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)C4=CC=CO4
InChI
InChI=1S/C24H21N3O6/c1-14-16(25-21(28)19-9-6-12-32-19)10-11-17-20(14)23(30)33-24(26-17)27-18(22(29)31-2)13-15-7-4-3-5-8-15/h3-12,18H,13H2,1-2H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKey
RYJCJGYIYYIXIK-SFHVURJKSA-N
Compound name
methyl (2S)-2-[[6-(furan-2-carbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.14304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15032 207.0
[M+Na]+ 470.13226 213.4
[M-H]- 446.13576 218.5
[M+NH4]+ 465.17686 213.2
[M+K]+ 486.10620 212.4
[M+H-H2O]+ 430.14030 196.5
[M+HCOO]- 492.14124 228.2
[M+CH3COO]- 506.15689 235.6
[M+Na-2H]- 468.11771 209.5
[M]+ 447.14249 213.9
[M]- 447.14359 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.