CID 15955813

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

Structural Information

Molecular Formula
C24H25N3O5
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCC4
InChI
InChI=1S/C24H25N3O5/c1-14-17(25-21(28)16-9-6-10-16)11-12-18-20(14)23(30)32-24(26-18)27-19(22(29)31-2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,16,19H,6,9-10,13H2,1-2H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKey
PJCLPBFREORDNO-IBGZPJMESA-N
Compound name
methyl (2S)-2-[[6-(cyclobutanecarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1794 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18668 206.3
[M+Na]+ 458.16862 208.3
[M-H]- 434.17212 214.7
[M+NH4]+ 453.21322 206.0
[M+K]+ 474.14256 210.1
[M+H-H2O]+ 418.17666 188.6
[M+HCOO]- 480.17760 222.6
[M+CH3COO]- 494.19325 237.4
[M+Na-2H]- 456.15407 206.6
[M]+ 435.17885 216.7
[M]- 435.17995 216.7
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.