CID 6482689

Schembl5000659

Structural Information

Molecular Formula
C22H22F2N4O2
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=C(C=C(C=C4)F)F)OC
InChI
InChI=1S/C22H22F2N4O2/c1-29-20-6-4-16(12-21(20)30-2)27-7-9-28(10-8-27)22-14-25-13-19(26-22)17-5-3-15(23)11-18(17)24/h3-6,11-14H,7-10H2,1-2H3
InChIKey
RFPAVXGUWJRNNJ-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.17108 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17836 203.5
[M+Na]+ 435.16030 211.2
[M-H]- 411.16380 207.8
[M+NH4]+ 430.20490 207.6
[M+K]+ 451.13424 203.5
[M+H-H2O]+ 395.16834 187.3
[M+HCOO]- 457.16928 215.4
[M+CH3COO]- 471.18493 210.2
[M+Na-2H]- 433.14575 202.9
[M]+ 412.17053 200.3
[M]- 412.17163 200.3
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

patents stripe