CID 66545094

1370587-21-5

Structural Information

Molecular Formula
C12H12F3N3O2
SMILES
CCOC(=O)C1=C(C2=C(N1C)C=C(C=N2)C(F)(F)F)N
InChI
InChI=1S/C12H12F3N3O2/c1-3-20-11(19)10-8(16)9-7(18(10)2)4-6(5-17-9)12(13,14)15/h4-5H,3,16H2,1-2H3
InChIKey
DNWQRXKZEHOPSX-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09545 162.2
[M+Na]+ 310.07739 170.5
[M+NH4]+ 305.12199 165.9
[M+K]+ 326.05133 168.5
[M-H]- 286.08089 157.7
[M+Na-2H]- 308.06284 163.9
[M]+ 287.08762 161.6
[M]- 287.08872 161.6
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.