CID 45051249

2-((2,6-diisopropylanilino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C20H23NO3/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(23)24/h5-13H,1-4H3,(H,21,22)(H,23,24)
InChIKey
PAKPVCWCWMECHN-UHFFFAOYSA-N
Compound name
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.2
[M+Na]+ 348.15702 190.4
[M+NH4]+ 343.20162 185.2
[M+K]+ 364.13096 185.3
[M-H]- 324.16052 182.1
[M+Na-2H]- 346.14247 184.8
[M]+ 325.16725 181.4
[M]- 325.16835 181.4
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.