CID 15955790

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

Structural Information

Molecular Formula
C19H25N3O7
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](COC)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H25N3O7/c1-10-11(22-18(25)29-19(2,3)4)7-8-12-14(10)16(24)28-17(20-12)21-13(9-26-5)15(23)27-6/h7-8,13H,9H2,1-6H3,(H,20,21)(H,22,25)/t13-/m0/s1
InChIKey
AYOHYXUQVONUPF-ZDUSSCGKSA-N
Compound name
methyl (2S)-3-methoxy-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

407.16925 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17653 195.1
[M+Na]+ 430.15847 200.9
[M-H]- 406.16197 199.2
[M+NH4]+ 425.20307 203.8
[M+K]+ 446.13241 202.1
[M+H-H2O]+ 390.16651 186.5
[M+HCOO]- 452.16745 213.1
[M+CH3COO]- 466.18310 230.2
[M+Na-2H]- 428.14392 198.4
[M]+ 407.16870 203.7
[M]- 407.16980 203.7
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.