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 196.1
[M+Na]+ 415.21044 199.9
[M-H]- 391.21394 201.0
[M+NH4]+ 410.25504 201.7
[M+K]+ 431.18438 192.9
[M+H-H2O]+ 375.21848 182.6
[M+HCOO]- 437.21942 209.7
[M+CH3COO]- 451.23507 202.7
[M+Na-2H]- 413.19589 195.5
[M]+ 392.22067 193.2
[M]- 392.22177 193.2
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.