CID 15955798

N-[6-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-4-oxo-4h-3,1-benzoxazin-2-yl]-l-alanine,n-methyl-n-phenylmethylamide

Structural Information

Molecular Formula
C25H30N4O5
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](C)C(=O)N(C)CC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C25H30N4O5/c1-15-18(28-24(32)34-25(3,4)5)12-13-19-20(15)22(31)33-23(27-19)26-16(2)21(30)29(6)14-17-10-8-7-9-11-17/h7-13,16H,14H2,1-6H3,(H,26,27)(H,28,32)/t16-/m0/s1
InChIKey
MQAAYLMZDLOLBM-INIZCTEOSA-N
Compound name
tert-butyl N-[2-[[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.22162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.22890 215.6
[M+Na]+ 489.21084 219.5
[M-H]- 465.21434 223.6
[M+NH4]+ 484.25544 221.6
[M+K]+ 505.18478 219.4
[M+H-H2O]+ 449.21888 205.0
[M+HCOO]- 511.21982 233.9
[M+CH3COO]- 525.23547 247.8
[M+Na-2H]- 487.19629 217.8
[M]+ 466.22107 221.3
[M]- 466.22217 221.3
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.