CID 3062203

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

Structural Information

Molecular Formula
C16H21ClN4O
SMILES
C1CCN(CC1)CCOC2=CC(=NN2N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H21ClN4O/c17-14-6-4-13(5-7-14)15-12-16(21(18)19-15)22-11-10-20-8-2-1-3-9-20/h4-7,12H,1-3,8-11,18H2
InChIKey
BTMAEDNTIMWSEF-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(2-piperidin-1-ylethoxy)pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

320.14038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14766 175.5
[M+Na]+ 343.12960 181.8
[M-H]- 319.13310 179.9
[M+NH4]+ 338.17420 187.4
[M+K]+ 359.10354 175.6
[M+H-H2O]+ 303.13764 164.7
[M+HCOO]- 365.13858 188.8
[M+CH3COO]- 379.15423 184.7
[M+Na-2H]- 341.11505 175.8
[M]+ 320.13983 173.6
[M]- 320.14093 173.6
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