CID 15955777

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

Structural Information

Molecular Formula
C25H29N3O7
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](COCC3=CC=CC=C3)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C25H29N3O7/c1-15-17(28-24(31)35-25(2,3)4)11-12-18-20(15)22(30)34-23(26-18)27-19(21(29)32-5)14-33-13-16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,26,27)(H,28,31)/t19-/m0/s1
InChIKey
WXIDXZZSJNNLCZ-IBGZPJMESA-N
Compound name
methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylmethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.20056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.20784 216.6
[M+Na]+ 506.18978 220.6
[M-H]- 482.19328 223.2
[M+NH4]+ 501.23438 221.3
[M+K]+ 522.16372 220.6
[M+H-H2O]+ 466.19782 205.8
[M+HCOO]- 528.19876 233.6
[M+CH3COO]- 542.21441 243.9
[M+Na-2H]- 504.17523 219.4
[M]+ 483.20001 224.4
[M]- 483.20111 224.4
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.