CID 54910

Cicletanine

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3
InChIKey
CVKNDPRBJVBDSS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

205
References

1859
Patents

261.05566 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 155.2
[M+Na]+ 284.04488 171.3
[M+NH4]+ 279.08948 164.7
[M+K]+ 300.01882 165.3
[M-H]- 260.04838 160.7
[M+Na-2H]- 282.03033 162.3
[M]+ 261.05511 159.6
[M]- 261.05621 159.6
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