CID 203738

P-324

Structural Information

Molecular Formula
C17H24N4O
SMILES
CC1=NN(C(=C1)OCCN2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C17H24N4O/c1-15-14-17(21(18-15)16-6-4-3-5-7-16)22-13-12-20-10-8-19(2)9-11-20/h3-7,14H,8-13H2,1-2H3
InChIKey
XAJSPFVSHSICAZ-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.195 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 174.5
[M+Na]+ 323.18422 187.7
[M+NH4]+ 318.22882 181.4
[M+K]+ 339.15816 181.9
[M-H]- 299.18772 178.0
[M+Na-2H]- 321.16967 181.9
[M]+ 300.19445 177.3
[M]- 300.19555 177.3
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.