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

30
Patents

267.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 164.6
[M+Na]+ 290.151538 170.2
[M-H]- 266.155044 171.1
[M+NH4]+ 285.196143 180.8
[M+K]+ 306.125478 166.2
[M+H-H2O]+ 250.159580 157.1
[M+HCOO]- 312.160521 186.6
[M+CH3COO]- 326.176171 201.1
[M+Na-2H]- 288.136986 169.7
[M]+ 267.16177142 164.3
[M]- 267.16286858 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