CID 3062204

1h-pyrazol-1-amine, 3-(4-chlorophenyl)-5-(3-(1-piperidinyl)propoxy)-

Structural Information

Molecular Formula
C17H23ClN4O
SMILES
C1CCN(CC1)CCCOC2=CC(=NN2N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H23ClN4O/c18-15-7-5-14(6-8-15)16-13-17(22(19)20-16)23-12-4-11-21-9-2-1-3-10-21/h5-8,13H,1-4,9-12,19H2
InChIKey
UNYWEPWMZAYPTF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.15604 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16332 179.9
[M+Na]+ 357.14526 185.7
[M-H]- 333.14876 184.0
[M+NH4]+ 352.18986 191.1
[M+K]+ 373.11920 179.2
[M+H-H2O]+ 317.15330 168.8
[M+HCOO]- 379.15424 192.8
[M+CH3COO]- 393.16989 188.6
[M+Na-2H]- 355.13071 179.6
[M]+ 334.15549 178.2
[M]- 334.15659 178.2
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

patents stripe