CID 11200051

Jm5b01461, compound 34

Structural Information

Molecular Formula
C24H25N3O2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C24H25N3O2/c1-27(2)21-15-13-19(14-16-21)23(28)26-22(17-18-9-5-3-6-10-18)24(29)25-20-11-7-4-8-12-20/h3-16,22H,17H2,1-2H3,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKey
GPSHAEBYJLCMDC-QFIPXVFZSA-N
Compound name
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 195.3
[M+Na]+ 410.18389 196.6
[M-H]- 386.18739 205.0
[M+NH4]+ 405.22849 205.0
[M+K]+ 426.15783 193.2
[M+H-H2O]+ 370.19193 184.3
[M+HCOO]- 432.19287 218.7
[M+CH3COO]- 446.20852 231.1
[M+Na-2H]- 408.16934 197.0
[M]+ 387.19412 194.0
[M]- 387.19522 194.0
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.