CID 3583788

N-butyl-4-tert-butylbenzamide

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCNC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C15H23NO/c1-5-6-11-16-14(17)12-7-9-13(10-8-12)15(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,16,17)
InChIKey
UTAMDTZAUSRBMN-UHFFFAOYSA-N
Compound name
N-butyl-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.17796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 158.3
[M+Na]+ 256.16718 169.1
[M+NH4]+ 251.21178 165.9
[M+K]+ 272.14112 162.6
[M-H]- 232.17068 160.2
[M+Na-2H]- 254.15263 163.9
[M]+ 233.17741 160.3
[M]- 233.17851 160.3
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