CID 6483180

Schembl4993132

Structural Information

Molecular Formula
C21H21FN4O
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN4O/c1-27-19-4-2-3-18(13-19)25-9-11-26(12-10-25)21-15-23-14-20(24-21)16-5-7-17(22)8-6-16/h2-8,13-15H,9-12H2,1H3
InChIKey
CWROSAVHCYFLTR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.16995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17723 191.1
[M+Na]+ 387.15917 197.6
[M-H]- 363.16267 196.0
[M+NH4]+ 382.20377 196.7
[M+K]+ 403.13311 189.8
[M+H-H2O]+ 347.16721 175.9
[M+HCOO]- 409.16815 204.3
[M+CH3COO]- 423.18380 198.4
[M+Na-2H]- 385.14462 193.2
[M]+ 364.16940 186.3
[M]- 364.17050 186.3
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.