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 174.3
[M+Na]+ 323.18422 180.4
[M-H]- 299.18772 177.9
[M+NH4]+ 318.22882 185.3
[M+K]+ 339.15816 175.5
[M+H-H2O]+ 283.19226 162.5
[M+HCOO]- 345.19320 190.1
[M+CH3COO]- 359.20885 183.5
[M+Na-2H]- 321.16967 174.7
[M]+ 300.19445 172.7
[M]- 300.19555 172.7
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.