CID 6483159

Schembl4997571

Structural Information

Molecular Formula
C19H17F3N6
SMILES
C1CN(CCN1C2=NC=CN=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C19H17F3N6/c20-19(21,22)15-3-1-14(2-4-15)16-11-24-13-18(26-16)28-9-7-27(8-10-28)17-12-23-5-6-25-17/h1-6,11-13H,7-10H2
InChIKey
MBXKKJVCNMVXCM-UHFFFAOYSA-N
Compound name
2-(4-pyrazin-2-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15395 195.9
[M+Na]+ 409.13589 203.1
[M-H]- 385.13939 195.7
[M+NH4]+ 404.18049 197.7
[M+K]+ 425.10983 193.5
[M+H-H2O]+ 369.14393 178.3
[M+HCOO]- 431.14487 202.9
[M+CH3COO]- 445.16052 201.1
[M+Na-2H]- 407.12134 199.3
[M]+ 386.14612 187.2
[M]- 386.14722 187.2
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