CID 105478

P-heptylbiphenyl-p'-carboxamide

Structural Information

Molecular Formula
C20H25NO
SMILES
CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C20H25NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H2,21,22)
InChIKey
OTQJIVXAIVXUBV-UHFFFAOYSA-N
Compound name
4-(4-heptylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.1936 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 174.9
[M+Na]+ 318.18282 188.0
[M+NH4]+ 313.22742 182.9
[M+K]+ 334.15676 179.0
[M-H]- 294.18632 180.0
[M+Na-2H]- 316.16827 182.8
[M]+ 295.19305 178.2
[M]- 295.19415 178.2
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

patents stripe