CID 5480999

Benzyl n-[5-methyl-4-oxo-2-[[(1r)-1-phenylethyl]amino]-3,1-benzoxazin-6-yl]carbamate

Structural Information

Molecular Formula
C25H23N3O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C25H23N3O4/c1-16-20(28-25(30)31-15-18-9-5-3-6-10-18)13-14-21-22(16)23(29)32-24(27-21)26-17(2)19-11-7-4-8-12-19/h3-14,17H,15H2,1-2H3,(H,26,27)(H,28,30)/t17-/m1/s1
InChIKey
WBADJIPWMBGRRX-QGZVFWFLSA-N
Compound name
benzyl N-[5-methyl-4-oxo-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.16885 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17613 204.8
[M+Na]+ 452.15807 210.5
[M-H]- 428.16157 214.5
[M+NH4]+ 447.20267 211.3
[M+K]+ 468.13201 206.7
[M+H-H2O]+ 412.16611 192.8
[M+HCOO]- 474.16705 224.9
[M+CH3COO]- 488.18270 233.9
[M+Na-2H]- 450.14352 209.1
[M]+ 429.16830 207.6
[M]- 429.16940 207.6
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.