CID 15885806

Schembl27477975

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H24N2O4/c1-14-9-8-12-16-18(14)20(26)27-21(23-16)24-17(19(25)28-22(2,3)4)13-15-10-6-5-7-11-15/h5-12,17H,13H2,1-4H3,(H,23,24)/t17-/m0/s1
InChIKey
KNAURVRYVXYUNH-KRWDZBQOSA-N
Compound name
tert-butyl (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

9
Patents

380.1736 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 192.8
[M+Na]+ 403.16282 199.1
[M-H]- 379.16632 199.6
[M+NH4]+ 398.20742 202.4
[M+K]+ 419.13676 196.8
[M+H-H2O]+ 363.17086 183.1
[M+HCOO]- 425.17180 210.3
[M+CH3COO]- 439.18745 222.7
[M+Na-2H]- 401.14827 197.4
[M]+ 380.17305 197.2
[M]- 380.17415 197.2
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