CID 56884

Brn 0580920

Structural Information

Molecular Formula
C22H30N2O3
SMILES
COC1=CC=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=C3OC)O
InChI
InChI=1S/C22H30N2O3/c1-26-19-11-9-18(10-12-19)21(25)7-5-13-23-14-16-24(17-15-23)20-6-3-4-8-22(20)27-2/h3-4,6,8-12,21,25H,5,7,13-17H2,1-2H3
InChIKey
GODQHBLXOXWKHB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 192.5
[M+Na]+ 393.21487 195.3
[M-H]- 369.21837 196.6
[M+NH4]+ 388.25947 200.4
[M+K]+ 409.18881 190.6
[M+H-H2O]+ 353.22291 181.0
[M+HCOO]- 415.22385 206.4
[M+CH3COO]- 429.23950 216.1
[M+Na-2H]- 391.20032 192.0
[M]+ 370.22510 191.1
[M]- 370.22620 191.1
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.