CID 3047012

Piperazine, 1-(2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)ethyl)-4-methyl-, dimethanesulfonate

Structural Information

Molecular Formula
C22H26N4O
SMILES
CN1CCN(CC1)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N4O/c1-24-12-14-25(15-13-24)16-17-27-22-21(19-8-4-2-5-9-19)18-26(23-22)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3
InChIKey
HASVFUGRMOBSME-UHFFFAOYSA-N
Compound name
1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21066 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 189.8
[M+Na]+ 385.19988 194.8
[M-H]- 361.20338 196.1
[M+NH4]+ 380.24448 197.4
[M+K]+ 401.17382 188.0
[M+H-H2O]+ 345.20792 176.2
[M+HCOO]- 407.20886 205.0
[M+CH3COO]- 421.22451 197.6
[M+Na-2H]- 383.18533 189.8
[M]+ 362.21011 187.0
[M]- 362.21121 187.0
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.