CID 3070793

3-phenyl-5-pyrrolidinoethoxy-pyrazole maleate

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1CCN(C1)CCOC2=NNC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O/c1-2-6-13(7-3-1)14-12-15(17-16-14)19-11-10-18-8-4-5-9-18/h1-3,6-7,12H,4-5,8-11H2,(H,16,17)
InChIKey
WIPYWAIIAVFVIZ-UHFFFAOYSA-N
Compound name
5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 161.4
[M+Na]+ 280.14202 172.9
[M+NH4]+ 275.18662 168.9
[M+K]+ 296.11596 169.5
[M-H]- 256.14552 164.6
[M+Na-2H]- 278.12747 168.9
[M]+ 257.15225 163.7
[M]- 257.15335 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.