CID 114360

63867-54-9

Structural Information

Molecular Formula
C18H22N2O2
SMILES
COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H22N2O2/c1-22-18-13-15(7-8-17(18)21)14-19-9-11-20(12-10-19)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3
InChIKey
ZTIKBALWKAJWMF-UHFFFAOYSA-N
Compound name
2-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.3
[M+Na]+ 321.15734 177.5
[M-H]- 297.16084 177.1
[M+NH4]+ 316.20194 183.5
[M+K]+ 337.13128 172.4
[M+H-H2O]+ 281.16538 161.7
[M+HCOO]- 343.16632 188.4
[M+CH3COO]- 357.18197 181.5
[M+Na-2H]- 319.14279 175.0
[M]+ 298.16757 168.8
[M]- 298.16867 168.8
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.