CID 10336538

Fauc 213

Structural Information

Molecular Formula
C18H19ClN4
SMILES
C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
InChIKey
DTRXURJDKOYCCD-UHFFFAOYSA-N
Compound name
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

16
Patents

326.12982 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe