CID 6482852

Schembl5003458

Structural Information

Molecular Formula
C22H22F2N4
SMILES
CC1=CC(=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=C(C=C(C=C4)F)F)C
InChI
InChI=1S/C22H22F2N4/c1-15-9-16(2)11-17(10-15)20-13-25-14-22(26-20)28-7-5-27(6-8-28)21-4-3-18(23)12-19(21)24/h3-4,9-14H,5-8H2,1-2H3
InChIKey
LMKGCEUENGJMNA-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(3,5-dimethylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.18124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18852 197.7
[M+Na]+ 403.17046 205.9
[M-H]- 379.17396 201.9
[M+NH4]+ 398.21506 203.4
[M+K]+ 419.14440 196.7
[M+H-H2O]+ 363.17850 181.9
[M+HCOO]- 425.17944 209.3
[M+CH3COO]- 439.19509 204.8
[M+Na-2H]- 401.15591 197.0
[M]+ 380.18069 191.8
[M]- 380.18179 191.8
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