CID 15955804

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

Structural Information

Molecular Formula
C18H23N3O6
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H23N3O6/c1-9-11(21-17(24)27-18(3,4)5)7-8-12-13(9)15(23)26-16(20-12)19-10(2)14(22)25-6/h7-8,10H,1-6H3,(H,19,20)(H,21,24)/t10-/m0/s1
InChIKey
SJSWROJSMPIVOQ-JTQLQIEISA-N
Compound name
methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16598 188.4
[M+Na]+ 400.14792 195.0
[M-H]- 376.15142 192.7
[M+NH4]+ 395.19252 198.5
[M+K]+ 416.12186 195.6
[M+H-H2O]+ 360.15596 180.2
[M+HCOO]- 422.15690 206.6
[M+CH3COO]- 436.17255 224.9
[M+Na-2H]- 398.13337 191.9
[M]+ 377.15815 195.3
[M]- 377.15925 195.3
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.