CID 722405

4-tert-butyl-n-isobutylbenzamide

Structural Information

Molecular Formula
C15H23NO
SMILES
CC(C)CNC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C15H23NO/c1-11(2)10-16-14(17)12-6-8-13(9-7-12)15(3,4)5/h6-9,11H,10H2,1-5H3,(H,16,17)
InChIKey
MEHAOUKZKMUZMN-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 157.4
[M+Na]+ 256.16718 162.8
[M-H]- 232.17068 160.9
[M+NH4]+ 251.21178 175.5
[M+K]+ 272.14112 160.8
[M+H-H2O]+ 216.17522 151.5
[M+HCOO]- 278.17616 178.0
[M+CH3COO]- 292.19181 197.3
[M+Na-2H]- 254.15263 160.3
[M]+ 233.17741 158.1
[M]- 233.17851 158.1
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