CID 165871442

2551117-28-1

Structural Information

Molecular Formula
C10H12F3N3O2
SMILES
COC(=O)C1=C(N=C2N1CCC(C2)C(F)(F)F)N
InChI
InChI=1S/C10H12F3N3O2/c1-18-9(17)7-8(14)15-6-4-5(10(11,12)13)2-3-16(6)7/h5H,2-4,14H2,1H3
InChIKey
NJXYFBDYKHPIGS-UHFFFAOYSA-N
Compound name
methyl 2-amino-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08817 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09545 155.1
[M+Na]+ 286.07739 163.8
[M-H]- 262.08089 152.9
[M+NH4]+ 281.12199 171.7
[M+K]+ 302.05133 160.9
[M+H-H2O]+ 246.08543 146.0
[M+HCOO]- 308.08637 169.6
[M+CH3COO]- 322.10202 196.9
[M+Na-2H]- 284.06284 156.7
[M]+ 263.08762 150.0
[M]- 263.08872 150.0
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.