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
1
Annotation Hits

0
References

5
Patents

400.1457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.152976 194.0
[M+Na]+ 423.134918 203.3
[M-H]- 399.138424 200.3
[M+NH4]+ 418.179523 207.1
[M+K]+ 439.108858 199.2
[M+H-H2O]+ 383.142960 187.4
[M+HCOO]- 445.143901 207.6
[M+CH3COO]- 459.159551 204.1
[M+Na-2H]- 421.120366 192.9
[M]+ 400.14515142 203.2
[M]- 400.14624858 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

patents stripe