CID 41214

Meglitinide

Structural Information

Molecular Formula
C17H16ClNO4
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H16ClNO4/c1-23-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(5-3-11)17(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKey
SWLAMJPTOQZTAE-UHFFFAOYSA-N
Compound name
4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

179
References

28806
Patents

333.07678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.084056 174.0
[M+Na]+ 356.065998 181.2
[M-H]- 332.069504 179.5
[M+NH4]+ 351.110603 187.6
[M+K]+ 372.039938 176.4
[M+H-H2O]+ 316.074040 167.0
[M+HCOO]- 378.074981 191.6
[M+CH3COO]- 392.090631 208.5
[M+Na-2H]- 354.051446 175.5
[M]+ 333.07623142 178.1
[M]- 333.07732858 178.1
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