CID 710648

21091-90-7

Structural Information

Molecular Formula
C18H20N2O2
SMILES
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c1-22-17-9-7-15(8-10-17)18(21)20-13-11-19(12-14-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKey
GDCTVWOWUWCETC-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.9
[M+Na]+ 319.14169 175.6
[M-H]- 295.14519 176.8
[M+NH4]+ 314.18629 182.4
[M+K]+ 335.11563 171.3
[M+H-H2O]+ 279.14973 160.0
[M+HCOO]- 341.15067 187.7
[M+CH3COO]- 355.16632 180.4
[M+Na-2H]- 317.12714 173.6
[M]+ 296.15192 167.4
[M]- 296.15302 167.4
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

No patent data available for this compound.