CID 66545195

1353877-98-1

Structural Information

Molecular Formula
C13H14F3N3O2
SMILES
CCOC(=O)C1=C(C2=C(C=C(N=C2N1C)C)C(F)(F)F)N
InChI
InChI=1S/C13H14F3N3O2/c1-4-21-12(20)10-9(17)8-7(13(14,15)16)5-6(2)18-11(8)19(10)3/h5H,4,17H2,1-3H3
InChIKey
MGTGNZHATGTMIS-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1,6-dimethyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.10382 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11110 167.5
[M+Na]+ 324.09304 175.9
[M+NH4]+ 319.13764 171.1
[M+K]+ 340.06698 173.8
[M-H]- 300.09654 163.1
[M+Na-2H]- 322.07849 168.6
[M]+ 301.10327 167.0
[M]- 301.10437 167.0
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.