CID 3047036

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

Structural Information

Molecular Formula
C23H28N4O
SMILES
CN1CCN(CC1)CCCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N4O/c1-25-14-16-26(17-15-25)13-8-18-28-23-22(20-9-4-2-5-10-20)19-27(24-23)21-11-6-3-7-12-21/h2-7,9-12,19H,8,13-18H2,1H3
InChIKey
HAIOVGFNRMQZHN-UHFFFAOYSA-N
Compound name
1-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22632 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23360 194.0
[M+Na]+ 399.21554 198.5
[M-H]- 375.21904 200.1
[M+NH4]+ 394.26014 201.0
[M+K]+ 415.18948 191.5
[M+H-H2O]+ 359.22358 180.2
[M+HCOO]- 421.22452 208.8
[M+CH3COO]- 435.24017 201.3
[M+Na-2H]- 397.20099 193.5
[M]+ 376.22577 191.5
[M]- 376.22687 191.5
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.