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]+ 422.12660 200.0
[M+Na]+ 444.10854 203.3
[M-H]- 420.11204 208.4
[M+NH4]+ 439.15314 208.5
[M+K]+ 460.08248 197.7
[M+H-H2O]+ 404.11658 190.5
[M+HCOO]- 466.11752 217.7
[M+CH3COO]- 480.13317 231.7
[M+Na-2H]- 442.09399 199.8
[M]+ 421.11877 199.6
[M]- 421.11987 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.