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]+ 354.20638 188.0
[M+Na]+ 376.18832 192.5
[M-H]- 352.19182 194.1
[M+NH4]+ 371.23292 200.6
[M+K]+ 392.16226 189.0
[M+H-H2O]+ 336.19636 179.6
[M+HCOO]- 398.19730 208.2
[M+CH3COO]- 412.21295 217.8
[M+Na-2H]- 374.17377 189.3
[M]+ 353.19855 190.9
[M]- 353.19965 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.