CID 54592619

1-[(5-chloro-3-ethyl-1-methyl-1h-pyrazol-4-yl)methyl]piperazine

Structural Information

Molecular Formula
C11H19ClN4
SMILES
CCC1=NN(C(=C1CN2CCNCC2)Cl)C
InChI
InChI=1S/C11H19ClN4/c1-3-10-9(11(12)15(2)14-10)8-16-6-4-13-5-7-16/h13H,3-8H2,1-2H3
InChIKey
ABIXOWLPIOOLAA-UHFFFAOYSA-N
Compound name
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13710 158.4
[M+Na]+ 265.11904 166.1
[M-H]- 241.12254 157.5
[M+NH4]+ 260.16364 172.5
[M+K]+ 281.09298 160.6
[M+H-H2O]+ 225.12708 148.9
[M+HCOO]- 287.12802 168.4
[M+CH3COO]- 301.14367 168.1
[M+Na-2H]- 263.10449 158.6
[M]+ 242.12927 155.8
[M]- 242.13037 155.8
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

No patent data available for this compound.