CID 85459

1,2-benzenedicarboxamide, n,n'-diphenyl-

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H16N2O2/c23-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(24)22-16-11-5-2-6-12-16/h1-14H,(H,21,23)(H,22,24)
InChIKey
ZYACJWRVLBPZNG-UHFFFAOYSA-N
Compound name
1-N,2-N-diphenylbenzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

334
Patents

316.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12848 173.7
[M+Na]+ 339.11042 178.0
[M-H]- 315.11392 182.9
[M+NH4]+ 334.15502 186.2
[M+K]+ 355.08436 173.2
[M+H-H2O]+ 299.11846 163.9
[M+HCOO]- 361.11940 198.1
[M+CH3COO]- 375.13505 210.1
[M+Na-2H]- 337.09587 178.9
[M]+ 316.12065 171.1
[M]- 316.12175 171.1
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