CID 104335

2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C19H21NO3/c1-4-20(5-2)14-10-11-15(13(3)12-14)18(21)16-8-6-7-9-17(16)19(22)23/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKey
IZHHSJHVOYVIRH-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)-2-methylbenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

311.15213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.7
[M+Na]+ 334.14135 179.4
[M-H]- 310.14485 180.4
[M+NH4]+ 329.18595 187.8
[M+K]+ 350.11529 176.7
[M+H-H2O]+ 294.14939 165.5
[M+HCOO]- 356.15033 195.4
[M+CH3COO]- 370.16598 212.6
[M+Na-2H]- 332.12680 173.7
[M]+ 311.15158 176.0
[M]- 311.15268 176.0
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