CID 1811008

4-tert-butyl-n-{3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl}benzamide

Structural Information

Molecular Formula
C29H34N2O2
SMILES
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C29H34N2O2/c1-19-24(30-26(32)20-11-15-22(16-12-20)28(2,3)4)9-8-10-25(19)31-27(33)21-13-17-23(18-14-21)29(5,6)7/h8-18H,1-7H3,(H,30,32)(H,31,33)
InChIKey
LDPOQWNTRRGURO-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.26202 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 212.2
[M+Na]+ 465.25124 216.0
[M-H]- 441.25474 221.5
[M+NH4]+ 460.29584 220.8
[M+K]+ 481.22518 211.3
[M+H-H2O]+ 425.25928 202.5
[M+HCOO]- 487.26022 230.2
[M+CH3COO]- 501.27587 239.8
[M+Na-2H]- 463.23669 212.6
[M]+ 442.26147 212.8
[M]- 442.26257 212.8
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

No patent data available for this compound.