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]+ 363.217936 189.8
[M+Na]+ 385.199878 194.8
[M-H]- 361.203384 196.1
[M+NH4]+ 380.244483 197.4
[M+K]+ 401.173818 188.0
[M+H-H2O]+ 345.207920 176.2
[M+HCOO]- 407.208861 205.0
[M+CH3COO]- 421.224511 197.6
[M+Na-2H]- 383.185326 189.8
[M]+ 362.21011142 187.0
[M]- 362.21120858 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.