CID 88768

Piperazine, 1-(m-methoxybenzyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C18H22N2O
SMILES
COC1=CC=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-21-18-9-5-6-16(14-18)15-19-10-12-20(13-11-19)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKey
XWQDPQPOZOHIPP-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

282.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 168.6
[M+Na]+ 305.162438 173.4
[M-H]- 281.165944 174.3
[M+NH4]+ 300.207043 180.9
[M+K]+ 321.136378 168.5
[M+H-H2O]+ 265.170480 157.6
[M+HCOO]- 327.171421 186.0
[M+CH3COO]- 341.187071 178.3
[M+Na-2H]- 303.147886 172.4
[M]+ 282.17267142 165.0
[M]- 282.17376858 165.0
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