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

literature stripe

Patent stripe

patents stripe