CID 6482859

N,n-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline

Structural Information

Molecular Formula
C23H24F3N5
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C23H24F3N5/c1-29(2)19-8-6-17(7-9-19)21-15-27-16-22(28-21)31-12-10-30(11-13-31)20-5-3-4-18(14-20)23(24,25)26/h3-9,14-16H,10-13H2,1-2H3
InChIKey
RNSNSNMUHPKQIY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

427.1984 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20568 206.2
[M+Na]+ 450.18762 211.9
[M-H]- 426.19112 209.9
[M+NH4]+ 445.23222 209.8
[M+K]+ 466.16156 203.9
[M+H-H2O]+ 410.19566 189.2
[M+HCOO]- 472.19660 216.4
[M+CH3COO]- 486.21225 211.9
[M+Na-2H]- 448.17307 207.2
[M]+ 427.19785 199.0
[M]- 427.19895 199.0
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