CID 24208907

2-((dicyclohexylamino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C20H27NO3
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H27NO3/c22-19(17-13-7-8-14-18(17)20(23)24)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2,(H,23,24)
InChIKey
SLEVHEUSHMZZMJ-UHFFFAOYSA-N
Compound name
2-(dicyclohexylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

329.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 179.2
[M+Na]+ 352.18832 177.7
[M-H]- 328.19182 186.0
[M+NH4]+ 347.23292 190.8
[M+K]+ 368.16226 175.2
[M+H-H2O]+ 312.19636 169.9
[M+HCOO]- 374.19730 193.1
[M+CH3COO]- 388.21295 210.8
[M+Na-2H]- 350.17377 176.8
[M]+ 329.19855 169.6
[M]- 329.19965 169.6
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

patents stripe