CID 4097902

Butyl 4-((4-tert-butylbenzoyl)amino)benzoate

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C22H27NO3/c1-5-6-15-26-21(25)17-9-13-19(14-10-17)23-20(24)16-7-11-18(12-8-16)22(2,3)4/h7-14H,5-6,15H2,1-4H3,(H,23,24)
InChIKey
OLOUBUXJZMJBPV-UHFFFAOYSA-N
Compound name
butyl 4-[(4-tert-butylbenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 188.0
[M+Na]+ 376.188318 192.5
[M-H]- 352.191824 194.1
[M+NH4]+ 371.232923 200.6
[M+K]+ 392.162258 189.0
[M+H-H2O]+ 336.196360 179.6
[M+HCOO]- 398.197301 208.2
[M+CH3COO]- 412.212951 217.8
[M+Na-2H]- 374.173766 189.3
[M]+ 353.19855142 190.9
[M]- 353.19964858 190.9
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.