CID 3079817

126517-35-9

Structural Information

Molecular Formula
C20H24Cl2N2O
SMILES
CN1CCN(CC1)CCOC(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H24Cl2N2O/c1-23-9-11-24(12-10-23)13-14-25-20(16-5-4-6-17(21)15-16)18-7-2-3-8-19(18)22/h2-8,15,20H,9-14H2,1H3
InChIKey
DMMOWZUZNGIYOL-UHFFFAOYSA-N
Compound name
1-[2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13384 188.3
[M+Na]+ 401.11578 193.9
[M-H]- 377.11928 192.9
[M+NH4]+ 396.16038 198.2
[M+K]+ 417.08972 186.6
[M+H-H2O]+ 361.12382 177.8
[M+HCOO]- 423.12476 194.3
[M+CH3COO]- 437.14041 196.2
[M+Na-2H]- 399.10123 188.0
[M]+ 378.12601 188.9
[M]- 378.12711 188.9
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.