CID 92299

Tebutam

Structural Information

Molecular Formula
C15H23NO
SMILES
CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C
InChI
InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey
RJKCKKDSSSRYCB-UHFFFAOYSA-N
Compound name
N-benzyl-2,2-dimethyl-N-propan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

14615
Patents

233.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.3
[M+Na]+ 256.16718 161.9
[M-H]- 232.17068 161.8
[M+NH4]+ 251.21178 175.6
[M+K]+ 272.14112 161.2
[M+H-H2O]+ 216.17522 150.9
[M+HCOO]- 278.17616 178.4
[M+CH3COO]- 292.19181 199.6
[M+Na-2H]- 254.15263 160.2
[M]+ 233.17741 158.8
[M]- 233.17851 158.8
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