CID 504594

[2-carbamoyl-1-(7-isopropyl-4-oxo-4h-benzo[d][1,3]oxazin-2-ylcarbamoyl)-ethyl]-carbamic acid ,benzyl ester

Structural Information

Molecular Formula
C23H24N4O6
SMILES
CC(C)C1=CC2=C(C=C1)C(=O)OC(=N2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H24N4O6/c1-13(2)15-8-9-16-17(10-15)25-22(33-21(16)30)27-20(29)18(11-19(24)28)26-23(31)32-12-14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3,(H2,24,28)(H,26,31)(H,25,27,29)/t18-/m0/s1
InChIKey
YBOXZMYOTNYLAD-SFHVURJKSA-N
Compound name
benzyl N-[(2S)-4-amino-1,4-dioxo-1-[(4-oxo-7-propan-2-yl-3,1-benzoxazin-2-yl)amino]butan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1696 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.17688 207.8
[M+Na]+ 475.15882 210.5
[M-H]- 451.16232 213.7
[M+NH4]+ 470.20342 212.6
[M+K]+ 491.13276 209.9
[M+H-H2O]+ 435.16686 196.9
[M+HCOO]- 497.16780 225.7
[M+CH3COO]- 511.18345 241.1
[M+Na-2H]- 473.14427 208.3
[M]+ 452.16905 210.3
[M]- 452.17015 210.3
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.