CID 736045

85864-33-1

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(C)(C)C(=O)NC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-18(2,3)17(20)19-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKey
BDYMLDYIYIGVCY-UHFFFAOYSA-N
Compound name
N-(2-benzylphenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

267.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.6
[M+Na]+ 290.15154 170.2
[M-H]- 266.15504 171.1
[M+NH4]+ 285.19614 180.8
[M+K]+ 306.12548 166.2
[M+H-H2O]+ 250.15958 157.1
[M+HCOO]- 312.16052 186.6
[M+CH3COO]- 326.17617 201.1
[M+Na-2H]- 288.13699 169.7
[M]+ 267.16177 164.3
[M]- 267.16287 164.3
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