CID 3070793

1h-pyrazole, 3-phenyl-5-(2-(1-pyrrolidinyl)ethoxy)-, (z)-2-butenedioate (1:1)

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]+ 258.160076 159.1
[M+Na]+ 280.142018 164.6
[M-H]- 256.145524 163.1
[M+NH4]+ 275.186623 174.0
[M+K]+ 296.115958 160.2
[M+H-H2O]+ 240.150060 149.0
[M+HCOO]- 302.151001 178.0
[M+CH3COO]- 316.166651 169.5
[M+Na-2H]- 278.127466 160.1
[M]+ 257.15225142 156.2
[M]- 257.15334858 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.