CID 118267

1,4-benzenedicarboxamide, n,n'-bis(1-methyl-2-oxo-2-phenylethyl)-

Structural Information

Molecular Formula
C26H24N2O4
SMILES
CC(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC(C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H24N2O4/c1-17(23(29)19-9-5-3-6-10-19)27-25(31)21-13-15-22(16-14-21)26(32)28-18(2)24(30)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,31)(H,28,32)
InChIKey
UGVVFOIUYBMKRX-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(1-oxo-1-phenylpropan-2-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1736 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18088 203.8
[M+Na]+ 451.16282 204.2
[M-H]- 427.16632 212.0
[M+NH4]+ 446.20742 210.8
[M+K]+ 467.13676 201.2
[M+H-H2O]+ 411.17086 193.2
[M+HCOO]- 473.17180 222.8
[M+CH3COO]- 487.18745 234.2
[M+Na-2H]- 449.14827 201.5
[M]+ 428.17305 202.3
[M]- 428.17415 202.3
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.