CID 205902

18940-64-2

Structural Information

Molecular Formula
C19H21ClN2O2
SMILES
COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C19H21ClN2O2/c1-24-18-9-5-3-7-16(18)19(23)22-12-10-21(11-13-22)14-15-6-2-4-8-17(15)20/h2-9H,10-14H2,1H3
InChIKey
FZMZWXSBXLVJOT-UHFFFAOYSA-N
Compound name
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12915 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13643 181.4
[M+Na]+ 367.11837 196.8
[M+NH4]+ 362.16297 189.3
[M+K]+ 383.09231 187.9
[M-H]- 343.12187 186.7
[M+Na-2H]- 365.10382 190.4
[M]+ 344.12860 185.5
[M]- 344.12970 185.5
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.