CID 118905

N,n'-bis(benzoylmethyl)-1,4-benzenedicarboxamide

Structural Information

Molecular Formula
C24H20N2O4
SMILES
C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=C(C=C2)C(=O)NCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H20N2O4/c27-21(17-7-3-1-4-8-17)15-25-23(29)19-11-13-20(14-12-19)24(30)26-16-22(28)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,29)(H,26,30)
InChIKey
NWPFDSUTVYIESA-UHFFFAOYSA-N
Compound name
1-N,4-N-diphenacylbenzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 195.7
[M+Na]+ 423.13152 197.6
[M-H]- 399.13502 204.1
[M+NH4]+ 418.17612 204.0
[M+K]+ 439.10546 193.6
[M+H-H2O]+ 383.13956 184.9
[M+HCOO]- 445.14050 217.3
[M+CH3COO]- 459.15615 226.5
[M+Na-2H]- 421.11697 196.5
[M]+ 400.14175 194.5
[M]- 400.14285 194.5
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.