CID 94897

6284-09-9

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(C)C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-15(2)18(20)19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKey
SEXRCGYUTZHHOX-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

267.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.5
[M+Na]+ 290.15154 169.3
[M-H]- 266.15504 172.6
[M+NH4]+ 285.19614 181.5
[M+K]+ 306.12548 166.7
[M+H-H2O]+ 250.15958 156.9
[M+HCOO]- 312.16052 188.4
[M+CH3COO]- 326.17617 204.6
[M+Na-2H]- 288.13699 168.5
[M]+ 267.16177 165.8
[M]- 267.16287 165.8
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