CID 11100670

88784-33-2

Structural Information

Molecular Formula
C20H17NO6
SMILES
C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H17NO6/c22-17(27-12-13-6-2-1-3-7-13)11-10-16(20(25)26)21-18(23)14-8-4-5-9-15(14)19(21)24/h1-9,16H,10-12H2,(H,25,26)/t16-/m0/s1
InChIKey
MQUZTINHMZQECR-INIZCTEOSA-N
Compound name
(2S)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

367.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11288 183.6
[M+Na]+ 390.09482 193.7
[M+NH4]+ 385.13942 188.0
[M+K]+ 406.06876 191.3
[M-H]- 366.09832 183.8
[M+Na-2H]- 388.08027 186.7
[M]+ 367.10505 184.6
[M]- 367.10615 184.6
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