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]+ 402.217606 199.7
[M+Na]+ 424.199548 200.6
[M-H]- 400.203054 209.2
[M+NH4]+ 419.244153 208.8
[M+K]+ 440.173488 197.0
[M+H-H2O]+ 384.207590 188.5
[M+HCOO]- 446.208531 222.8
[M+CH3COO]- 460.224181 234.0
[M+Na-2H]- 422.184996 200.9
[M]+ 401.20978142 198.8
[M]- 401.21087858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.