CID 6482851

Schembl4995356

Structural Information

Molecular Formula
C22H23F2N5
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H23F2N5/c1-27(2)18-6-3-16(4-7-18)20-14-25-15-22(26-20)29-11-9-28(10-12-29)21-8-5-17(23)13-19(21)24/h3-8,13-15H,9-12H2,1-2H3
InChIKey
YISDHFMHQCSELI-UHFFFAOYSA-N
Compound name
4-[6-[4-(2,4-difluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.19214 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19942 199.2
[M+Na]+ 418.18136 205.7
[M-H]- 394.18486 204.4
[M+NH4]+ 413.22596 204.2
[M+K]+ 434.15530 197.8
[M+H-H2O]+ 378.18940 182.9
[M+HCOO]- 440.19034 212.4
[M+CH3COO]- 454.20599 206.0
[M+Na-2H]- 416.16681 199.5
[M]+ 395.19159 193.6
[M]- 395.19269 193.6
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