CID 6482845

Schembl4994725

Structural Information

Molecular Formula
C21H20F2N4O
SMILES
C1CN(CCN1C2=C(C=C(C=C2)F)F)C3=NC(=CN=C3)C4=CC=CC=C4CO
InChI
InChI=1S/C21H20F2N4O/c22-16-5-6-20(18(23)11-16)26-7-9-27(10-8-26)21-13-24-12-19(25-21)17-4-2-1-3-15(17)14-28/h1-6,11-13,28H,7-10,14H2
InChIKey
FTMZGWXFOBGYGV-UHFFFAOYSA-N
Compound name
[2-[6-[4-(2,4-difluorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.16052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16780 195.1
[M+Na]+ 405.14974 202.2
[M-H]- 381.15324 197.8
[M+NH4]+ 400.19434 199.6
[M+K]+ 421.12368 193.1
[M+H-H2O]+ 365.15778 179.6
[M+HCOO]- 427.15872 205.8
[M+CH3COO]- 441.17437 201.5
[M+Na-2H]- 403.13519 195.5
[M]+ 382.15997 188.2
[M]- 382.16107 188.2
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

No patent data available for this compound.