CID 4577308

N,n-dihexylbenzamide

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCCCCN(CCCCCC)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C19H31NO/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKey
NWHLOKKFFRQNEJ-UHFFFAOYSA-N
Compound name
N,N-dihexylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

289.24057 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 177.3
[M+Na]+ 312.22979 179.7
[M-H]- 288.23329 180.4
[M+NH4]+ 307.27439 193.1
[M+K]+ 328.20373 177.0
[M+H-H2O]+ 272.23783 169.1
[M+HCOO]- 334.23877 199.4
[M+CH3COO]- 348.25442 211.1
[M+Na-2H]- 310.21524 178.2
[M]+ 289.24002 181.3
[M]- 289.24112 181.3
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