CID 2273996

N,n-dibenzyl-4-tert-butylbenzamide

Structural Information

Molecular Formula
C25H27NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C25H27NO/c1-25(2,3)23-16-14-22(15-17-23)24(27)26(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3
InChIKey
VXAJKOODEIYIMZ-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20926 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.216536 190.2
[M+Na]+ 380.198478 193.9
[M-H]- 356.201984 200.2
[M+NH4]+ 375.243083 202.4
[M+K]+ 396.172418 189.3
[M+H-H2O]+ 340.206520 180.2
[M+HCOO]- 402.207461 211.4
[M+CH3COO]- 416.223111 221.2
[M+Na-2H]- 378.183926 193.3
[M]+ 357.20871142 190.6
[M]- 357.20980858 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.