CID 3062206

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

Structural Information

Molecular Formula
C21H24ClN5O
SMILES
C1CN(CCN1CCOC2=CC(=NN2N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H24ClN5O/c22-18-8-6-17(7-9-18)20-16-21(27(23)24-20)28-15-14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-9,16H,10-15,23H2
InChIKey
RQVIDNRMPFUEIR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethoxy]pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

397.16693 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17421 195.7
[M+Na]+ 420.15615 201.8
[M-H]- 396.15965 201.7
[M+NH4]+ 415.20075 202.5
[M+K]+ 436.13009 193.6
[M+H-H2O]+ 380.16419 182.2
[M+HCOO]- 442.16513 206.9
[M+CH3COO]- 456.18078 203.0
[M+Na-2H]- 418.14160 194.9
[M]+ 397.16638 193.7
[M]- 397.16748 193.7
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