CID 9841512

51591-75-4

Structural Information

Molecular Formula
C19H18N2O5
SMILES
C1=CC=C(C=C1)CN2[C@H]([C@H](N(C2=O)CC3=CC=CC=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)/t15-,16+
InChIKey
QSMUFXXTSUEZJA-IYBDPMFKSA-N
Compound name
(4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

354.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.128856 180.9
[M+Na]+ 377.110798 186.6
[M-H]- 353.114304 185.6
[M+NH4]+ 372.155403 190.7
[M+K]+ 393.084738 182.1
[M+H-H2O]+ 337.118840 171.7
[M+HCOO]- 399.119781 196.7
[M+CH3COO]- 413.135431 208.9
[M+Na-2H]- 375.096246 178.5
[M]+ 354.12103142 179.8
[M]- 354.12212858 179.8
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