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]+ 284.16451 167.7
[M+Na]+ 306.14645 174.1
[M-H]- 282.14995 174.6
[M+NH4]+ 301.19105 183.4
[M+K]+ 322.12039 170.9
[M+H-H2O]+ 266.15449 160.2
[M+HCOO]- 328.15543 189.9
[M+CH3COO]- 342.17108 204.4
[M+Na-2H]- 304.13190 172.2
[M]+ 283.15668 169.2
[M]- 283.15778 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