CID 162767

Mefenamic acid diethylaminoethyl ester

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2C)C
InChI
InChI=1S/C21H28N2O2/c1-5-23(6-2)14-15-25-21(24)18-11-7-8-12-20(18)22-19-13-9-10-16(3)17(19)4/h7-13,22H,5-6,14-15H2,1-4H3
InChIKey
CPMWYRGQTLIYGY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(2,3-dimethylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

340.2151 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 185.8
[M+Na]+ 363.20432 190.4
[M-H]- 339.20782 193.3
[M+NH4]+ 358.24892 199.4
[M+K]+ 379.17826 187.4
[M+H-H2O]+ 323.21236 176.4
[M+HCOO]- 385.21330 209.9
[M+CH3COO]- 399.22895 223.2
[M+Na-2H]- 361.18977 186.6
[M]+ 340.21455 189.7
[M]- 340.21565 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe