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]+ 329.149576 176.3
[M+Na]+ 351.131518 177.4
[M-H]- 327.135024 179.1
[M+NH4]+ 346.176123 186.7
[M+K]+ 367.105458 174.4
[M+H-H2O]+ 311.139560 167.6
[M+HCOO]- 373.140501 195.5
[M+CH3COO]- 387.156151 209.7
[M+Na-2H]- 349.116966 177.5
[M]+ 328.14175142 173.3
[M]- 328.14284858 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