CID 3062207

1h-pyrazol-1-amine, 3-phenyl-5-(2-(1-pyrrolidinyl)ethoxy)-

Structural Information

Molecular Formula
C15H20N4O
SMILES
C1CCN(C1)CCOC2=CC(=NN2N)C3=CC=CC=C3
InChI
InChI=1S/C15H20N4O/c16-19-15(20-11-10-18-8-4-5-9-18)12-14(17-19)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11,16H2
InChIKey
WHYFILCAGKUQRV-UHFFFAOYSA-N
Compound name
3-phenyl-5-(2-pyrrolidin-1-ylethoxy)pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.1637 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 161.9
[M+Na]+ 295.15292 167.9
[M-H]- 271.15642 167.2
[M+NH4]+ 290.19752 176.6
[M+K]+ 311.12686 163.9
[M+H-H2O]+ 255.16096 151.6
[M+HCOO]- 317.16190 182.7
[M+CH3COO]- 331.17755 172.6
[M+Na-2H]- 293.13837 162.5
[M]+ 272.16315 159.7
[M]- 272.16425 159.7
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

patents stripe