CID 6483163

Schembl4997457

Structural Information

Molecular Formula
C18H17ClN4O
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C18H17ClN4O/c19-15-1-3-16(4-2-15)22-6-8-23(9-7-22)18-12-20-11-17(21-18)14-5-10-24-13-14/h1-5,10-13H,6-9H2
InChIKey
BMVZIANUNLYSNR-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.1091 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11638 180.2
[M+Na]+ 363.09832 187.9
[M-H]- 339.10182 187.2
[M+NH4]+ 358.14292 188.3
[M+K]+ 379.07226 181.6
[M+H-H2O]+ 323.10636 167.2
[M+HCOO]- 385.10730 190.9
[M+CH3COO]- 399.12295 189.2
[M+Na-2H]- 361.08377 181.7
[M]+ 340.10855 178.8
[M]- 340.10965 178.8
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

patents stripe