CID 3047074

1-piperazineethanol, 4-(3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)propyl)-, dimethanesulfonate (salt)

Structural Information

Molecular Formula
C24H30N4O2
SMILES
C1CN(CCN1CCCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4)CCO
InChI
InChI=1S/C24H30N4O2/c29-18-17-27-15-13-26(14-16-27)12-7-19-30-24-23(21-8-3-1-4-9-21)20-28(25-24)22-10-5-2-6-11-22/h1-6,8-11,20,29H,7,12-19H2
InChIKey
KITHGFUUFAHKOB-UHFFFAOYSA-N
Compound name
2-[4-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23688 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24416 203.4
[M+Na]+ 429.22610 217.0
[M+NH4]+ 424.27070 209.3
[M+K]+ 445.20004 210.1
[M-H]- 405.22960 208.6
[M+Na-2H]- 427.21155 211.9
[M]+ 406.23633 206.7
[M]- 406.23743 206.7
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.