CID 214351

Ilaprazole

Structural Information

Molecular Formula
C19H18N4O2S
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC
InChI
InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey
HRRXCXABAPSOCP-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

60
References

1883
Patents

366.11505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12233 184.0
[M+Na]+ 389.10427 199.0
[M+NH4]+ 384.14887 190.8
[M+K]+ 405.07821 193.6
[M-H]- 365.10777 187.7
[M+Na-2H]- 387.08972 191.6
[M]+ 366.11450 187.7
[M]- 366.11560 187.7
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