CID 684054

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

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H21NO2/c1-18(2,3)14-7-5-13(6-8-14)17(20)19-15-9-11-16(21-4)12-10-15/h5-12H,1-4H3,(H,19,20)
InChIKey
ROWQVBICBCMONY-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe