CID 43162392

1240527-45-0

Structural Information

Molecular Formula
C12H15ClN4
SMILES
C1CN(CCN1)CC2=CN3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C12H15ClN4/c13-10-1-2-12-15-11(9-17(12)7-10)8-16-5-3-14-4-6-16/h1-2,7,9,14H,3-6,8H2
InChIKey
DRBMDERIBMPMQG-UHFFFAOYSA-N
Compound name
6-chloro-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09853 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10581 155.9
[M+Na]+ 273.08775 164.8
[M-H]- 249.09125 156.1
[M+NH4]+ 268.13235 170.3
[M+K]+ 289.06169 158.0
[M+H-H2O]+ 233.09579 145.9
[M+HCOO]- 295.09673 166.9
[M+CH3COO]- 309.11238 166.1
[M+Na-2H]- 271.07320 160.3
[M]+ 250.09798 153.7
[M]- 250.09908 153.7
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

No patent data available for this compound.