CID 3064105

Mefeclorazine

Structural Information

Molecular Formula
C20H25ClN2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C20H25ClN2O2/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21/h3-8,15H,9-14H2,1-2H3
InChIKey
PJDRMPCBIWKBJA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

360.16046 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16774 187.4
[M+Na]+ 383.14968 203.3
[M+NH4]+ 378.19428 195.5
[M+K]+ 399.12362 193.6
[M-H]- 359.15318 193.2
[M+Na-2H]- 381.13513 196.3
[M]+ 360.15991 191.8
[M]- 360.16101 191.8
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