CID 15885807

Schembl6595086

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C19H18N2O4/c1-12-7-6-10-14-16(12)18(23)25-19(20-14)21-15(17(22)24-2)11-13-8-4-3-5-9-13/h3-10,15H,11H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKey
SAPXACAGBNAFII-HNNXBMFYSA-N
Compound name
methyl (2S)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.12665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 178.9
[M+Na]+ 361.11587 186.2
[M-H]- 337.11937 186.0
[M+NH4]+ 356.16047 190.1
[M+K]+ 377.08981 183.8
[M+H-H2O]+ 321.12391 169.1
[M+HCOO]- 383.12485 199.1
[M+CH3COO]- 397.14050 214.0
[M+Na-2H]- 359.10132 184.1
[M]+ 338.12610 182.9
[M]- 338.12720 182.9
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

patents stripe