CID 65870

Pamicogrel

Structural Information

Molecular Formula
C25H24N2O4S
SMILES
CCOC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H24N2O4S/c1-4-31-22(28)16-27-15-5-6-21(27)25-26-23(17-7-11-19(29-2)12-8-17)24(32-25)18-9-13-20(30-3)14-10-18/h5-15H,4,16H2,1-3H3
InChIKey
ISCHOARKJADAKJ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

1214
Patents

448.1457 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15298 208.1
[M+Na]+ 471.13492 223.1
[M+NH4]+ 466.17952 214.7
[M+K]+ 487.10886 216.8
[M-H]- 447.13842 214.5
[M+Na-2H]- 469.12037 217.3
[M]+ 448.14515 212.7
[M]- 448.14625 212.7
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