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

15
Patents

326.12982 Da
Monoisotopic Mass

3.2
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