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]+ 299.175396 172.3
[M+Na]+ 321.157338 177.5
[M-H]- 297.160844 177.1
[M+NH4]+ 316.201943 183.5
[M+K]+ 337.131278 172.4
[M+H-H2O]+ 281.165380 161.7
[M+HCOO]- 343.166321 188.4
[M+CH3COO]- 357.181971 181.5
[M+Na-2H]- 319.142786 175.0
[M]+ 298.16757142 168.8
[M]- 298.16866858 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.