CID 15955768

Schembl6597882

Structural Information

Molecular Formula
C20H20N2O5
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](CC3=CC=C(C=C3)OC)C(=O)OC
InChI
InChI=1S/C20H20N2O5/c1-12-5-4-6-15-17(12)19(24)27-20(21-15)22-16(18(23)26-3)11-13-7-9-14(25-2)10-8-13/h4-10,16H,11H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKey
CALKQUITNWNZLS-INIZCTEOSA-N
Compound name
methyl (2S)-3-(4-methoxyphenyl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.1372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 186.6
[M+Na]+ 391.12642 194.1
[M-H]- 367.12992 193.8
[M+NH4]+ 386.17102 196.7
[M+K]+ 407.10036 192.2
[M+H-H2O]+ 351.13446 176.5
[M+HCOO]- 413.13540 206.5
[M+CH3COO]- 427.15105 220.5
[M+Na-2H]- 389.11187 190.6
[M]+ 368.13665 192.7
[M]- 368.13775 192.7
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

patents stripe