CID 3052481

Brn 2187922

Structural Information

Molecular Formula
C23H20ClN3O3
SMILES
C1=CC=C(C=C1)[C@@H](C(=O)NC(=O)CNC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C23H20ClN3O3/c24-17-11-12-19(18(13-17)22(29)16-9-5-2-6-10-16)26-14-20(28)27-23(30)21(25)15-7-3-1-4-8-15/h1-13,21,26H,14,25H2,(H,27,28,30)/t21-/m0/s1
InChIKey
XXPLCEMJNJJFPC-NRFANRHFSA-N
Compound name
(2S)-2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.11932 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.126596 200.0
[M+Na]+ 444.108538 203.3
[M-H]- 420.112044 208.4
[M+NH4]+ 439.153143 208.5
[M+K]+ 460.082478 197.7
[M+H-H2O]+ 404.116580 190.5
[M+HCOO]- 466.117521 217.7
[M+CH3COO]- 480.133171 231.7
[M+Na-2H]- 442.093986 199.8
[M]+ 421.11877142 199.6
[M]- 421.11986858 199.6
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.