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 157.8
[M+Na]+ 256.16718 163.4
[M-H]- 232.17068 161.1
[M+NH4]+ 251.21178 175.9
[M+K]+ 272.14112 160.8
[M+H-H2O]+ 216.17522 151.7
[M+HCOO]- 278.17616 179.3
[M+CH3COO]- 292.19181 196.4
[M+Na-2H]- 254.15263 161.8
[M]+ 233.17741 159.0
[M]- 233.17851 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