CID 4983336

N-benzyl-n-tert-butylbenzamide

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-18(2,3)19(14-15-10-6-4-7-11-15)17(20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKey
MURLFZAAFOXTAD-UHFFFAOYSA-N
Compound name
N-benzyl-N-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 164.5
[M+Na]+ 290.15154 169.3
[M-H]- 266.15504 172.0
[M+NH4]+ 285.19614 181.0
[M+K]+ 306.12548 166.7
[M+H-H2O]+ 250.15958 156.6
[M+HCOO]- 312.16052 187.0
[M+CH3COO]- 326.17617 203.4
[M+Na-2H]- 288.13699 169.6
[M]+ 267.16177 165.0
[M]- 267.16287 165.0
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