CID 3419898

109806-71-5

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
InChIKey
ZJQSBXXYLQGZBR-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

330.1499 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 178.7
[M+Na]+ 353.13912 183.0
[M-H]- 329.14262 182.6
[M+NH4]+ 348.18372 189.1
[M+K]+ 369.11306 176.0
[M+H-H2O]+ 313.14716 168.3
[M+HCOO]- 375.14810 188.6
[M+CH3COO]- 389.16375 186.8
[M+Na-2H]- 351.12457 180.0
[M]+ 330.14935 175.4
[M]- 330.15045 175.4
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