CID 6482906

Schembl5000707

Structural Information

Molecular Formula
C22H23FN4O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=C(C=C4)OC)F
InChI
InChI=1S/C22H23FN4O/c1-16-3-6-18(7-4-16)26-9-11-27(12-10-26)22-15-24-14-20(25-22)17-5-8-21(28-2)19(23)13-17/h3-8,13-15H,9-12H2,1-2H3
InChIKey
WJCHTMYDVKABAW-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-methoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.18558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19286 196.4
[M+Na]+ 401.17480 203.4
[M-H]- 377.17830 201.6
[M+NH4]+ 396.21940 201.8
[M+K]+ 417.14874 195.4
[M+H-H2O]+ 361.18284 181.2
[M+HCOO]- 423.18378 209.3
[M+CH3COO]- 437.19943 203.6
[M+Na-2H]- 399.16025 197.2
[M]+ 378.18503 192.4
[M]- 378.18613 192.4
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.