CID 6482815

2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine

Structural Information

Molecular Formula
C23H23F3N4O2
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(F)(F)F)OC
InChI
InChI=1S/C23H23F3N4O2/c1-31-20-8-7-18(13-21(20)32-2)29-9-11-30(12-10-29)22-15-27-14-19(28-22)16-3-5-17(6-4-16)23(24,25)26/h3-8,13-15H,9-12H2,1-2H3
InChIKey
QJGDTLFJHIFXRF-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.1773 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18458 211.2
[M+Na]+ 467.16652 218.1
[M-H]- 443.17002 214.0
[M+NH4]+ 462.21112 213.8
[M+K]+ 483.14046 210.2
[M+H-H2O]+ 427.17456 194.3
[M+HCOO]- 489.17550 220.1
[M+CH3COO]- 503.19115 216.7
[M+Na-2H]- 465.15197 211.2
[M]+ 444.17675 206.3
[M]- 444.17785 206.3
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