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 194.0
[M+Na]+ 423.13492 203.3
[M-H]- 399.13842 200.3
[M+NH4]+ 418.17952 207.1
[M+K]+ 439.10886 199.2
[M+H-H2O]+ 383.14296 187.4
[M+HCOO]- 445.14390 207.6
[M+CH3COO]- 459.15955 204.1
[M+Na-2H]- 421.12037 192.9
[M]+ 400.14515 203.2
[M]- 400.14625 203.2
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.