CID 3079217

124673-63-8

Structural Information

Molecular Formula
C12H15ClN4
SMILES
CN1CCN(CC1)C2=NNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C12H15ClN4/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKey
QRNHTSFHCVUGIL-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.09853 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10581 156.8
[M+Na]+ 273.08775 166.7
[M-H]- 249.09125 157.4
[M+NH4]+ 268.13235 171.6
[M+K]+ 289.06169 159.8
[M+H-H2O]+ 233.09579 147.2
[M+HCOO]- 295.09673 167.8
[M+CH3COO]- 309.11238 167.3
[M+Na-2H]- 271.07320 160.4
[M]+ 250.09798 155.0
[M]- 250.09908 155.0
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