CID 6482838

Schembl4996338

Structural Information

Molecular Formula
C22H24FN5
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4F
InChI
InChI=1S/C22H24FN5/c1-26(2)18-9-7-17(8-10-18)20-15-24-16-22(25-20)28-13-11-27(12-14-28)21-6-4-3-5-19(21)23/h3-10,15-16H,11-14H2,1-2H3
InChIKey
WZIBJVMKYUOQBY-UHFFFAOYSA-N
Compound name
4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

377.20157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20885 194.7
[M+Na]+ 400.19079 200.2
[M-H]- 376.19429 200.9
[M+NH4]+ 395.23539 200.3
[M+K]+ 416.16473 192.9
[M+H-H2O]+ 360.19883 179.3
[M+HCOO]- 422.19977 209.1
[M+CH3COO]- 436.21542 201.9
[M+Na-2H]- 398.17624 196.6
[M]+ 377.20102 189.7
[M]- 377.20212 189.7
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