CID 71897

Mepiprazole

Structural Information

Molecular Formula
C16H21ClN4
SMILES
CC1=CC(=NN1)CCN2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H21ClN4/c1-13-11-15(19-18-13)5-6-20-7-9-21(10-8-20)16-4-2-3-14(17)12-16/h2-4,11-12H,5-10H2,1H3,(H,18,19)
InChIKey
DOTIMEKVTCOGED-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

374
Patents

304.14548 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.152756 173.7
[M+Na]+ 327.134698 180.6
[M-H]- 303.138204 175.7
[M+NH4]+ 322.179303 184.7
[M+K]+ 343.108638 173.1
[M+H-H2O]+ 287.142740 162.4
[M+HCOO]- 349.143681 183.4
[M+CH3COO]- 363.159331 182.3
[M+Na-2H]- 325.120146 173.6
[M]+ 304.14493142 170.5
[M]- 304.14602858 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe