CID 12543926

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

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H19NO3/c1-3-12-8-7-9-13(4-2)16(12)19-17(20)14-10-5-6-11-15(14)18(21)22/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKey
GIKOGWWQLRWZLB-UHFFFAOYSA-N
Compound name
2-[(2,6-diethylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 169.9
[M+Na]+ 320.125718 176.1
[M-H]- 296.129224 175.4
[M+NH4]+ 315.170323 184.1
[M+K]+ 336.099658 172.1
[M+H-H2O]+ 280.133760 162.1
[M+HCOO]- 342.134701 191.5
[M+CH3COO]- 356.150351 205.7
[M+Na-2H]- 318.111166 171.2
[M]+ 297.13595142 170.6
[M]- 297.13704858 170.6
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.