CID 15955795

Methyl (2s)-2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-(1-naphthyl)propanoate

Structural Information

Molecular Formula
C28H29N3O6
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC4=CC=CC=C43)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C28H29N3O6/c1-16-20(31-27(34)37-28(2,3)4)13-14-21-23(16)25(33)36-26(29-21)30-22(24(32)35-5)15-18-11-8-10-17-9-6-7-12-19(17)18/h6-14,22H,15H2,1-5H3,(H,29,30)(H,31,34)/t22-/m0/s1
InChIKey
CSDLFYSDPWJMDE-QFIPXVFZSA-N
Compound name
methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]-3-naphthalen-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.20563 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.21291 224.1
[M+Na]+ 526.19485 229.7
[M-H]- 502.19835 231.9
[M+NH4]+ 521.23945 229.0
[M+K]+ 542.16879 228.3
[M+H-H2O]+ 486.20289 212.7
[M+HCOO]- 548.20383 240.5
[M+CH3COO]- 562.21948 249.4
[M+Na-2H]- 524.18030 228.3
[M]+ 503.20508 231.7
[M]- 503.20618 231.7
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.