CID 208921

Enpiprazole

Structural Information

Molecular Formula
C16H21ClN4
SMILES
CN1C=C(C=N1)CCN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H21ClN4/c1-19-13-14(12-18-19)6-7-20-8-10-21(11-9-20)16-5-3-2-4-15(16)17/h2-5,12-13H,6-11H2,1H3
InChIKey
WBFVWQJVMMIQFI-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

304.14548 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.152756 173.6
[M+Na]+ 327.134698 180.9
[M-H]- 303.138204 176.9
[M+NH4]+ 322.179303 185.3
[M+K]+ 343.108638 174.2
[M+H-H2O]+ 287.142740 161.8
[M+HCOO]- 349.143681 184.7
[M+CH3COO]- 363.159331 182.8
[M+Na-2H]- 325.120146 173.9
[M]+ 304.14493142 172.1
[M]- 304.14602858 172.1
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