CID 20523

Adipic dianilide

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)
InChIKey
QZLPDBKEVWFQNF-UHFFFAOYSA-N
Compound name
N,N'-diphenylhexanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

407
Patents

296.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.9
[M+Na]+ 319.14169 174.0
[M-H]- 295.14519 176.5
[M+NH4]+ 314.18629 184.7
[M+K]+ 335.11563 170.0
[M+H-H2O]+ 279.14973 161.9
[M+HCOO]- 341.15067 194.8
[M+CH3COO]- 355.16632 206.8
[M+Na-2H]- 317.12714 175.2
[M]+ 296.15192 169.9
[M]- 296.15302 169.9
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