CID 477845

Bzpyran ph imid deriv.

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C1COC(C2=CC=CC=C21)(CN3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H17ClN2O/c20-17-7-5-16(6-8-17)19(13-22-11-10-21-14-22)18-4-2-1-3-15(18)9-12-23-19/h1-8,10-11,14H,9,12-13H2
InChIKey
RJLDOMZTZILLOI-UHFFFAOYSA-N
Compound name
1-[[1-(4-chlorophenyl)-3,4-dihydroisochromen-1-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

324.10294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 175.9
[M+Na]+ 347.09216 184.7
[M-H]- 323.09566 183.9
[M+NH4]+ 342.13676 190.9
[M+K]+ 363.06610 178.7
[M+H-H2O]+ 307.10020 165.5
[M+HCOO]- 369.10114 189.5
[M+CH3COO]- 383.11679 186.7
[M+Na-2H]- 345.07761 180.6
[M]+ 324.10239 176.8
[M]- 324.10349 176.8
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.