CID 6483155

Schembl5000721

Structural Information

Molecular Formula
C22H24ClN5
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN5/c1-26(2)19-7-3-17(4-8-19)21-15-24-16-22(25-21)28-13-11-27(12-14-28)20-9-5-18(23)6-10-20/h3-10,15-16H,11-14H2,1-2H3
InChIKey
QPACJPRZLJBPFP-UHFFFAOYSA-N
Compound name
4-[6-[4-(4-chlorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

393.17203 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17931 197.1
[M+Na]+ 416.16125 203.1
[M-H]- 392.16475 204.1
[M+NH4]+ 411.20585 202.8
[M+K]+ 432.13519 195.1
[M+H-H2O]+ 376.16929 182.5
[M+HCOO]- 438.17023 207.8
[M+CH3COO]- 452.18588 204.3
[M+Na-2H]- 414.14670 199.0
[M]+ 393.17148 195.2
[M]- 393.17258 195.2
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