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

3
Patents

233.17796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 157.8
[M+Na]+ 256.167178 163.4
[M-H]- 232.170684 161.1
[M+NH4]+ 251.211783 175.9
[M+K]+ 272.141118 160.8
[M+H-H2O]+ 216.175220 151.7
[M+HCOO]- 278.176161 179.3
[M+CH3COO]- 292.191811 196.4
[M+Na-2H]- 254.152626 161.8
[M]+ 233.17741142 159.0
[M]- 233.17850858 159.0
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