CID 108349

Meso-2,3-bis(benzylamino)succinic acid

Structural Information

Molecular Formula
C18H20N2O4
SMILES
C1=CC=C(C=C1)CNC(C(C(=O)O)NCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H20N2O4/c21-17(22)15(19-11-13-7-3-1-4-8-13)16(18(23)24)20-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)
InChIKey
FZEXWQSUEVTZEC-UHFFFAOYSA-N
Compound name
2,3-bis(benzylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

328.1423 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 176.3
[M+Na]+ 351.13152 177.4
[M-H]- 327.13502 179.1
[M+NH4]+ 346.17612 186.7
[M+K]+ 367.10546 174.4
[M+H-H2O]+ 311.13956 167.6
[M+HCOO]- 373.14050 195.5
[M+CH3COO]- 387.15615 209.7
[M+Na-2H]- 349.11697 177.5
[M]+ 328.14175 173.3
[M]- 328.14285 173.3
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