CID 260277

66307-61-7

Structural Information

Molecular Formula
C20H25ClN2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H25ClN2O2/c1-16-4-2-3-5-20(16)23-12-10-22(11-13-23)14-18(24)15-25-19-8-6-17(21)7-9-19/h2-9,18,24H,10-15H2,1H3
InChIKey
DWCYMFYXKFCWTH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.16046 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.167736 186.2
[M+Na]+ 383.149678 190.9
[M-H]- 359.153184 190.4
[M+NH4]+ 378.194283 195.6
[M+K]+ 399.123618 184.4
[M+H-H2O]+ 343.157720 175.7
[M+HCOO]- 405.158661 196.0
[M+CH3COO]- 419.174311 211.7
[M+Na-2H]- 381.135126 186.3
[M]+ 360.15991142 185.1
[M]- 360.16100858 185.1
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.