CID 6482891

Schembl4994763

Structural Information

Molecular Formula
C22H23FN4
SMILES
CC1=C(C(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4F)C
InChI
InChI=1S/C22H23FN4/c1-16-6-5-7-18(17(16)2)20-14-24-15-22(25-20)27-12-10-26(11-13-27)21-9-4-3-8-19(21)23/h3-9,14-15H,10-13H2,1-2H3
InChIKey
BRZBLEJRIWVLDR-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.19067 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19795 193.4
[M+Na]+ 385.17989 200.6
[M-H]- 361.18339 198.5
[M+NH4]+ 380.22449 199.5
[M+K]+ 401.15383 191.9
[M+H-H2O]+ 345.18793 178.4
[M+HCOO]- 407.18887 206.1
[M+CH3COO]- 421.20452 200.8
[M+Na-2H]- 383.16534 194.1
[M]+ 362.19012 188.0
[M]- 362.19122 188.0
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