CID 774933

97338-03-9

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)N)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18N2O4/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23/h3-10,16H,2,11,20H2,1H3/t16-/m0/s1
InChIKey
RYROTMZMTMCWEP-INIZCTEOSA-N
Compound name
ethyl (2S)-3-(4-aminophenyl)-2-(1,3-dioxoisoindol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.12665 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 179.0
[M+Na]+ 361.11587 190.1
[M+NH4]+ 356.16047 184.9
[M+K]+ 377.08981 186.5
[M-H]- 337.11937 181.3
[M+Na-2H]- 359.10132 183.2
[M]+ 338.12610 180.9
[M]- 338.12720 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe