CID 101279

20916-70-5

Structural Information

Molecular Formula
C15H23NO
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C15H23NO/c1-6-16(7-2)14(17)12-8-10-13(11-9-12)15(3,4)5/h8-11H,6-7H2,1-5H3
InChIKey
FLFTZNPKRQQMIP-UHFFFAOYSA-N
Compound name
4-tert-butyl-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

233.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 156.8
[M+Na]+ 256.16718 162.6
[M-H]- 232.17068 161.7
[M+NH4]+ 251.21178 175.6
[M+K]+ 272.14112 161.5
[M+H-H2O]+ 216.17522 150.6
[M+HCOO]- 278.17616 178.9
[M+CH3COO]- 292.19181 199.9
[M+Na-2H]- 254.15263 160.2
[M]+ 233.17741 159.4
[M]- 233.17851 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe