CID 6482884

Schembl5003151

Structural Information

Molecular Formula
C21H20ClFN4O
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C21H20ClFN4O/c1-28-20-5-3-2-4-19(20)26-8-10-27(11-9-26)21-14-24-13-18(25-21)15-6-7-17(23)16(22)12-15/h2-7,12-14H,8-11H2,1H3
InChIKey
OOIVIECNDHNUBO-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.13098 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13826 196.7
[M+Na]+ 421.12020 204.7
[M-H]- 397.12370 201.6
[M+NH4]+ 416.16480 202.1
[M+K]+ 437.09414 195.9
[M+H-H2O]+ 381.12824 181.6
[M+HCOO]- 443.12918 205.3
[M+CH3COO]- 457.14483 203.9
[M+Na-2H]- 419.10565 197.6
[M]+ 398.13043 194.7
[M]- 398.13153 194.7
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