CID 9822241

Chembl1807053

Structural Information

Molecular Formula
C19H24F3N3O3
SMILES
CCC(CC)NC1=NC(=C(N=C1OC)C2=C(C=C(C=C2)OC(F)(F)F)OC)C
InChI
InChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)
InChIKey
PSUFQBRCUSJTDO-UHFFFAOYSA-N
Compound name
3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

67
Patents

399.17697 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18425 195.5
[M+Na]+ 422.16619 203.6
[M-H]- 398.16969 196.0
[M+NH4]+ 417.21079 204.1
[M+K]+ 438.14013 199.6
[M+H-H2O]+ 382.17423 183.0
[M+HCOO]- 444.17517 211.1
[M+CH3COO]- 458.19082 227.9
[M+Na-2H]- 420.15164 195.7
[M]+ 399.17642 198.2
[M]- 399.17752 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe