CID 353537

Dibenzyl 2-aminosuccinate

Structural Information

Molecular Formula
C18H19NO4
SMILES
C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C18H19NO4/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14/h1-10,16H,11-13,19H2
InChIKey
BQAMWLOABQRMAO-UHFFFAOYSA-N
Compound name
dibenzyl 2-aminobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

449
Patents

313.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 174.5
[M+Na]+ 336.120618 177.9
[M-H]- 312.124124 179.8
[M+NH4]+ 331.165223 187.4
[M+K]+ 352.094558 175.5
[M+H-H2O]+ 296.128660 165.6
[M+HCOO]- 358.129601 196.1
[M+CH3COO]- 372.145251 206.2
[M+Na-2H]- 334.106066 176.1
[M]+ 313.13085142 175.4
[M]- 313.13194858 175.4
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