CID 210480

21263-29-6

Structural Information

Molecular Formula
C23H30N2O3
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CC(C3=CC=CC=C3)OC
InChI
InChI=1S/C23H30N2O3/c1-27-21-10-8-19(9-11-21)22(26)12-13-24-14-16-25(17-15-24)18-23(28-2)20-6-4-3-5-7-20/h3-11,23H,12-18H2,1-2H3
InChIKey
MDMVLCGVJOCYLM-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 195.3
[M+Na]+ 405.21487 197.1
[M-H]- 381.21837 200.1
[M+NH4]+ 400.25947 202.8
[M+K]+ 421.18881 192.9
[M+H-H2O]+ 365.22291 183.2
[M+HCOO]- 427.22385 209.4
[M+CH3COO]- 441.23950 220.3
[M+Na-2H]- 403.20032 194.3
[M]+ 382.22510 194.2
[M]- 382.22620 194.2
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.