CID 6482786

Schembl4991829

Structural Information

Molecular Formula
C21H20F2N4
SMILES
CC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C21H20F2N4/c1-15-2-4-16(5-3-15)19-13-24-14-21(25-19)27-10-8-26(9-11-27)20-7-6-17(22)12-18(20)23/h2-7,12-14H,8-11H2,1H3
InChIKey
ZOOBQSMKFBWQEW-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.1656 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17288 192.4
[M+Na]+ 389.15482 200.1
[M-H]- 365.15832 196.3
[M+NH4]+ 384.19942 198.3
[M+K]+ 405.12876 191.1
[M+H-H2O]+ 349.16286 176.6
[M+HCOO]- 411.16380 204.4
[M+CH3COO]- 425.17945 199.6
[M+Na-2H]- 387.14027 193.0
[M]+ 366.16505 185.8
[M]- 366.16615 185.8
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