CID 5281037

Eprosartan

Structural Information

Molecular Formula
C23H24N2O4S
SMILES
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O
InChI
InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChIKey
OROAFUQRIXKEMV-LDADJPATSA-N
Compound name
4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

316
References

28513
Patents

424.1457 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15298 202.5
[M+Na]+ 447.13492 212.4
[M+NH4]+ 442.17952 206.7
[M+K]+ 463.10886 208.8
[M-H]- 423.13842 204.0
[M+Na-2H]- 445.12037 206.8
[M]+ 424.14515 204.4
[M]- 424.14625 204.4
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