CID 497712

4-tert-butyl-n-(2-hydroxy-4-methylphenyl)benzamide

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)O
InChI
InChI=1S/C18H21NO2/c1-12-5-10-15(16(20)11-12)19-17(21)13-6-8-14(9-7-13)18(2,3)4/h5-11,20H,1-4H3,(H,19,21)
InChIKey
MJLKDHPKMZUXHL-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-hydroxy-4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

283.15723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.6
[M+Na]+ 306.14645 174.5
[M-H]- 282.14995 173.5
[M+NH4]+ 301.19105 183.0
[M+K]+ 322.12039 170.5
[M+H-H2O]+ 266.15449 160.6
[M+HCOO]- 328.15543 188.3
[M+CH3COO]- 342.17108 203.1
[M+Na-2H]- 304.13190 171.0
[M]+ 283.15668 167.7
[M]- 283.15778 167.7
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