CID 6482656

Schembl5988470

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC(=CN=C2)C3=CC(=CC=C3)F
InChI
InChI=1S/C19H18FN3O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12/h4-11H,1-3H3,(H,22,23)
InChIKey
XVKVCGWYGXXFGR-UHFFFAOYSA-N
Compound name
6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

355.1332 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14048 183.9
[M+Na]+ 378.12242 192.9
[M-H]- 354.12592 190.3
[M+NH4]+ 373.16702 193.6
[M+K]+ 394.09636 188.0
[M+H-H2O]+ 338.13046 171.5
[M+HCOO]- 400.13140 205.4
[M+CH3COO]- 414.14705 217.9
[M+Na-2H]- 376.10787 187.9
[M]+ 355.13265 187.3
[M]- 355.13375 187.3
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

No patent data available for this compound.