CID 57826284

Rac-2-despiperidyl-2-amino repaglinide

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N)C(=O)O
InChI
InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)
InChIKey
OSCVKZCOJUTUFD-UHFFFAOYSA-N
Compound name
4-[2-[[1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

384.2049 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 195.6
[M+Na]+ 407.19412 198.2
[M-H]- 383.19762 199.8
[M+NH4]+ 402.23872 205.2
[M+K]+ 423.16806 195.3
[M+H-H2O]+ 367.20216 186.6
[M+HCOO]- 429.20310 214.3
[M+CH3COO]- 443.21875 226.5
[M+Na-2H]- 405.17957 191.9
[M]+ 384.20435 196.1
[M]- 384.20545 196.1
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.