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]+ 298.14378 169.9
[M+Na]+ 320.12572 176.1
[M-H]- 296.12922 175.4
[M+NH4]+ 315.17032 184.1
[M+K]+ 336.09966 172.1
[M+H-H2O]+ 280.13376 162.1
[M+HCOO]- 342.13470 191.5
[M+CH3COO]- 356.15035 205.7
[M+Na-2H]- 318.11117 171.2
[M]+ 297.13595 170.6
[M]- 297.13705 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.