CID 6482857

Schembl4997496

Structural Information

Molecular Formula
C22H21FN4O
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C22H21FN4O/c1-16(28)17-5-7-20(8-6-17)26-9-11-27(12-10-26)22-15-24-14-21(25-22)18-3-2-4-19(23)13-18/h2-8,13-15H,9-12H2,1H3
InChIKey
SHYSQDMZHAQQBA-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.16995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17723 193.9
[M+Na]+ 399.15917 199.9
[M-H]- 375.16267 198.8
[M+NH4]+ 394.20377 198.8
[M+K]+ 415.13311 191.9
[M+H-H2O]+ 359.16721 178.8
[M+HCOO]- 421.16815 206.0
[M+CH3COO]- 435.18380 200.8
[M+Na-2H]- 397.14462 194.5
[M]+ 376.16940 188.2
[M]- 376.17050 188.2
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

No patent data available for this compound.