CID 3047014

1-piperazineethanol, 4-(2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate (salt)

Structural Information

Molecular Formula
C23H28N4O2
SMILES
C1CN(CCN1CCO)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N4O2/c28-17-15-25-11-13-26(14-12-25)16-18-29-23-22(20-7-3-1-4-8-20)19-27(24-23)21-9-5-2-6-10-21/h1-10,19,28H,11-18H2
InChIKey
MUTIKZJOYZQHKC-UHFFFAOYSA-N
Compound name
2-[4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 199.0
[M+Na]+ 415.21044 212.8
[M+NH4]+ 410.25504 205.1
[M+K]+ 431.18438 206.1
[M-H]- 391.21394 204.2
[M+Na-2H]- 413.19589 207.8
[M]+ 392.22067 202.4
[M]- 392.22177 202.4
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.