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 179.3
[M+Na]+ 356.11880 188.1
[M-H]- 332.12230 187.3
[M+NH4]+ 351.16340 198.0
[M+K]+ 372.09274 183.2
[M+H-H2O]+ 316.12684 171.5
[M+HCOO]- 378.12778 196.2
[M+CH3COO]- 392.14343 191.0
[M+Na-2H]- 354.10425 182.0
[M]+ 333.12903 183.4
[M]- 333.13013 183.4
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