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 178.4
[M+Na]+ 348.15702 183.1
[M-H]- 324.16052 183.7
[M+NH4]+ 343.20162 191.3
[M+K]+ 364.13096 180.0
[M+H-H2O]+ 308.16506 170.6
[M+HCOO]- 370.16600 197.3
[M+CH3COO]- 384.18165 213.6
[M+Na-2H]- 346.14247 176.3
[M]+ 325.16725 178.6
[M]- 325.16835 178.6
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.