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 159.1
[M+Na]+ 280.14202 164.6
[M-H]- 256.14552 163.1
[M+NH4]+ 275.18662 174.0
[M+K]+ 296.11596 160.2
[M+H-H2O]+ 240.15006 149.0
[M+HCOO]- 302.15100 178.0
[M+CH3COO]- 316.16665 169.5
[M+Na-2H]- 278.12747 160.1
[M]+ 257.15225 156.2
[M]- 257.15335 156.2
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.