CID 6483149

6-(4-fluoro-biphenyl-4-yl)-2',3',5',6'-tetrahydro-[2,1'

Structural Information

Molecular Formula
C24H23FN6
SMILES
C1CN(CCN1C2=NC=CN=C2)C3=NC(=CN=C3)C4(CC=C(C=C4)C5=CC=CC=C5)F
InChI
InChI=1S/C24H23FN6/c25-24(8-6-20(7-9-24)19-4-2-1-3-5-19)21-16-27-18-23(29-21)31-14-12-30(13-15-31)22-17-26-10-11-28-22/h1-8,10-11,16-18H,9,12-15H2
InChIKey
LFXLORQXIUUBKB-UHFFFAOYSA-N
Compound name
2-(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1968 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20408 205.6
[M+Na]+ 437.18602 211.1
[M-H]- 413.18952 210.0
[M+NH4]+ 432.23062 207.2
[M+K]+ 453.15996 201.1
[M+H-H2O]+ 397.19406 186.8
[M+HCOO]- 459.19500 214.3
[M+CH3COO]- 473.21065 210.2
[M+Na-2H]- 435.17147 208.9
[M]+ 414.19625 197.0
[M]- 414.19735 197.0
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

No patent data available for this compound.