CID 3970388

N,n-dibutyl-4-tert-butylbenzamide

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCCN(CCCC)C(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C19H31NO/c1-6-8-14-20(15-9-7-2)18(21)16-10-12-17(13-11-16)19(3,4)5/h10-13H,6-9,14-15H2,1-5H3
InChIKey
SBIXRCIAUQRFCF-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 175.7
[M+Na]+ 312.22979 179.8
[M-H]- 288.23329 179.7
[M+NH4]+ 307.27439 192.1
[M+K]+ 328.20373 177.6
[M+H-H2O]+ 272.23783 168.6
[M+HCOO]- 334.23877 196.4
[M+CH3COO]- 348.25442 212.0
[M+Na-2H]- 310.21524 176.9
[M]+ 289.24002 179.7
[M]- 289.24112 179.7
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