CID 155970352

2-{[2-(2,4-difluorophenyl)-1-(1-methyl-1h-1,2,4-triazol-5-yl)ethyl]amino}ethan-1-ol

Structural Information

Molecular Formula
C13H16F2N4O
SMILES
CN1C(=NC=N1)C(CC2=C(C=C(C=C2)F)F)NCCO
InChI
InChI=1S/C13H16F2N4O/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15/h2-3,7-8,12,16,20H,4-6H2,1H3
InChIKey
MXSFDQOVCRHFBM-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13648 162.1
[M+Na]+ 305.11842 170.3
[M-H]- 281.12192 161.4
[M+NH4]+ 300.16302 174.9
[M+K]+ 321.09236 165.4
[M+H-H2O]+ 265.12646 151.1
[M+HCOO]- 327.12740 180.3
[M+CH3COO]- 341.14305 201.1
[M+Na-2H]- 303.10387 163.7
[M]+ 282.12865 160.5
[M]- 282.12975 160.5
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.