CID 6482922

Schembl4992899

Structural Information

Molecular Formula
C22H22ClFN4
SMILES
CC1=CC(=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=C(C=C4)F)Cl)C
InChI
InChI=1S/C22H22ClFN4/c1-15-3-6-21(16(2)11-15)27-7-9-28(10-8-27)22-14-25-13-20(26-22)17-4-5-19(24)18(23)12-17/h3-6,11-14H,7-10H2,1-2H3
InChIKey
LWPJZYVTVWHJHG-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.1517 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15898 199.3
[M+Na]+ 419.14092 208.0
[M-H]- 395.14442 204.3
[M+NH4]+ 414.18552 205.2
[M+K]+ 435.11486 198.3
[M+H-H2O]+ 379.14896 184.3
[M+HCOO]- 441.14990 207.3
[M+CH3COO]- 455.16555 206.5
[M+Na-2H]- 417.12637 198.7
[M]+ 396.15115 196.6
[M]- 396.15225 196.6
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

No patent data available for this compound.