CID 10088219

5-chlorodescyano citalopram oxalate

Structural Information

Molecular Formula
C19H21ClFNO
SMILES
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H21ClFNO/c1-22(2)11-3-10-19(15-4-7-17(21)8-5-15)18-9-6-16(20)12-14(18)13-23-19/h4-9,12H,3,10-11,13H2,1-2H3
InChIKey
COAPWBUTTSOWLG-UHFFFAOYSA-N
Compound name
3-[5-chloro-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

333.12958 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13686 177.4
[M+Na]+ 356.11880 191.2
[M+NH4]+ 351.16340 188.0
[M+K]+ 372.09274 182.0
[M-H]- 332.12230 183.2
[M+Na-2H]- 354.10425 185.3
[M]+ 333.12903 181.6
[M]- 333.13013 181.6
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