CID 4296438

Chembl2179776

Structural Information

Molecular Formula
C25H27N3O2
SMILES
CN(C)C1=CC=C(C=C1)C(NC(=O)CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C25H27N3O2/c1-28(2)22-15-13-21(14-16-22)25(26-23(29)17-19-9-5-3-6-10-19)27-24(30)18-20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKey
XZLHEBHGANHBEG-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

401.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 199.7
[M+Na]+ 424.19955 200.6
[M-H]- 400.20305 209.2
[M+NH4]+ 419.24415 208.8
[M+K]+ 440.17349 197.0
[M+H-H2O]+ 384.20759 188.5
[M+HCOO]- 446.20853 222.8
[M+CH3COO]- 460.22418 234.0
[M+Na-2H]- 422.18500 200.9
[M]+ 401.20978 198.8
[M]- 401.21088 198.8
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

patents stripe