CID 694646

N-benzyl-4-tert-butyl-n-methylbenzamide

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C19H23NO/c1-19(2,3)17-12-10-16(11-13-17)18(21)20(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKey
KTEAKVLXVRBINR-UHFFFAOYSA-N
Compound name
N-benzyl-4-tert-butyl-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.6
[M+Na]+ 304.167198 173.9
[M-H]- 280.170704 176.3
[M+NH4]+ 299.211803 184.8
[M+K]+ 320.141138 171.1
[M+H-H2O]+ 264.175240 160.7
[M+HCOO]- 326.176181 190.7
[M+CH3COO]- 340.191831 207.5
[M+Na-2H]- 302.152646 172.5
[M]+ 281.17743142 169.9
[M]- 281.17852858 169.9
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

patents stripe