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

6
Patents

326.12982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.137096 177.4
[M+Na]+ 349.119038 186.2
[M-H]- 325.122544 181.8
[M+NH4]+ 344.163643 189.0
[M+K]+ 365.092978 178.1
[M+H-H2O]+ 309.127080 165.1
[M+HCOO]- 371.128021 188.9
[M+CH3COO]- 385.143671 186.8
[M+Na-2H]- 347.104486 180.3
[M]+ 326.12927142 176.8
[M]- 326.13036858 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

literature stripe

Patent stripe

patents stripe