CID 10404144

Fauc-113

Structural Information

Molecular Formula
C18H19ClN4
SMILES
C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
InChIKey
XVPRVMIFXXOEFR-UHFFFAOYSA-N
Compound name
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

5
Patents

326.12982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13710 177.4
[M+Na]+ 349.11904 186.2
[M-H]- 325.12254 181.8
[M+NH4]+ 344.16364 189.0
[M+K]+ 365.09298 178.1
[M+H-H2O]+ 309.12708 165.1
[M+HCOO]- 371.12802 188.9
[M+CH3COO]- 385.14367 186.8
[M+Na-2H]- 347.10449 180.3
[M]+ 326.12927 176.8
[M]- 326.13037 176.8
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.