CID 156009457

Anaprazole

Structural Information

Molecular Formula
C21H24N2O4S
SMILES
CC1=C(C=CC=C1OCCCOC)CS(=O)C2=NC3=C(N2)C=C4CCOC4=C3
InChI
InChI=1S/C21H24N2O4S/c1-14-16(5-3-6-19(14)26-9-4-8-25-2)13-28(24)21-22-17-11-15-7-10-27-20(15)12-18(17)23-21/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,22,23)
InChIKey
JYSIFLQJDVIWKM-UHFFFAOYSA-N
Compound name
2-[[3-(3-methoxypropoxy)-2-methylphenyl]methylsulfinyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

400.1457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15298 193.7
[M+Na]+ 423.13492 206.3
[M+NH4]+ 418.17952 200.7
[M+K]+ 439.10886 201.2
[M-H]- 399.13842 197.4
[M+Na-2H]- 421.12037 196.9
[M]+ 400.14515 197.0
[M]- 400.14625 197.0
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.