CID 3062205

1h-pyrazol-1-amine, 3-(4-chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-

Structural Information

Molecular Formula
C15H19ClN4O
SMILES
C1CCN(C1)CCOC2=CC(=NN2N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H19ClN4O/c16-13-5-3-12(4-6-13)14-11-15(20(17)18-14)21-10-9-19-7-1-2-8-19/h3-6,11H,1-2,7-10,17H2
InChIKey
DDQOKHXSCYHBTF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(2-pyrrolidin-1-ylethoxy)pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

306.12473 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13201 171.0
[M+Na]+ 329.11395 178.5
[M-H]- 305.11745 176.3
[M+NH4]+ 324.15855 185.4
[M+K]+ 345.08789 172.9
[M+H-H2O]+ 289.12199 160.8
[M+HCOO]- 351.12293 186.9
[M+CH3COO]- 365.13858 181.4
[M+Na-2H]- 327.09940 170.0
[M]+ 306.12418 171.0
[M]- 306.12528 171.0
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