CID 3088299

N(sup alpha)-phenylacetyl-n-p-salicylidene-erythro-dl-phenylserine sodium salt

Structural Information

Molecular Formula
C24H22N2O5
SMILES
C1=CC=C(C=C1)CC(=O)N[C@H]([C@@H](C2=CC=C(C=C2)N=CC3=CC=CC=C3O)O)C(=O)O
InChI
InChI=1S/C24H22N2O5/c27-20-9-5-4-8-18(20)15-25-19-12-10-17(11-13-19)23(29)22(24(30)31)26-21(28)14-16-6-2-1-3-7-16/h1-13,15,22-23,27,29H,14H2,(H,26,28)(H,30,31)/t22-,23-/m1/s1
InChIKey
YHIUHAZYYVUUBO-DHIUTWEWSA-N
Compound name
(2R,3R)-3-hydroxy-3-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-2-[(2-phenylacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 200.7
[M+Na]+ 441.14208 210.8
[M+NH4]+ 436.18668 204.8
[M+K]+ 457.11602 205.8
[M-H]- 417.14558 204.8
[M+Na-2H]- 439.12753 207.7
[M]+ 418.15231 202.8
[M]- 418.15341 202.8
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

No patent data available for this compound.