CID 11258716

Jm5b01461, compound 35

Structural Information

Molecular Formula
C24H24ClN3O2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C24H24ClN3O2/c1-28(2)19-14-12-18(13-15-19)23(29)27-22(16-17-8-4-3-5-9-17)24(30)26-21-11-7-6-10-20(21)25/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)/t22-/m0/s1
InChIKey
BLVKWTTVQWKNFW-QFIPXVFZSA-N
Compound name
N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

421.1557 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16298 202.9
[M+Na]+ 444.14492 206.0
[M-H]- 420.14842 212.8
[M+NH4]+ 439.18952 212.5
[M+K]+ 460.11886 201.0
[M+H-H2O]+ 404.15296 192.9
[M+HCOO]- 466.15390 221.9
[M+CH3COO]- 480.16955 235.7
[M+Na-2H]- 442.13037 203.3
[M]+ 421.15515 204.9
[M]- 421.15625 204.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.