CID 15955796

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

Structural Information

Molecular Formula
C19H25N3O6
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H25N3O6/c1-10-11(21-17(25)28-18(2,3)4)8-9-12-13(10)14(23)27-16(20-12)22-19(5,6)15(24)26-7/h8-9H,1-7H3,(H,20,22)(H,21,25)
InChIKey
XHVJCXUABRKOHB-UHFFFAOYSA-N
Compound name
methyl 2-methyl-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

391.17435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18163 192.4
[M+Na]+ 414.16357 199.1
[M-H]- 390.16707 196.8
[M+NH4]+ 409.20817 202.1
[M+K]+ 430.13751 199.7
[M+H-H2O]+ 374.17161 184.7
[M+HCOO]- 436.17255 209.7
[M+CH3COO]- 450.18820 227.4
[M+Na-2H]- 412.14902 198.0
[M]+ 391.17380 199.7
[M]- 391.17490 199.7
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.