CID 667622

4-tert-butyl-n-(2-methoxyphenyl)benzamide

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C18H21NO2/c1-18(2,3)14-11-9-13(10-12-14)17(20)19-15-7-5-6-8-16(15)21-4/h5-12H,1-4H3,(H,19,20)
InChIKey
UKBCLRHOKUDYEY-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

283.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.7
[M+Na]+ 306.146448 174.1
[M-H]- 282.149954 174.6
[M+NH4]+ 301.191053 183.4
[M+K]+ 322.120388 170.9
[M+H-H2O]+ 266.154490 160.2
[M+HCOO]- 328.155431 189.9
[M+CH3COO]- 342.171081 204.4
[M+Na-2H]- 304.131896 172.2
[M]+ 283.15668142 169.2
[M]- 283.15777858 169.2
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