CID 155820845

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

Structural Information

Molecular Formula
C15H17F2N3O
SMILES
CC1=CN=C(N=C1)C(CC2=C(C=C(C=C2)F)F)NCCO
InChI
InChI=1S/C15H17F2N3O/c1-10-8-19-15(20-9-10)14(18-4-5-21)6-11-2-3-12(16)7-13(11)17/h2-3,7-9,14,18,21H,4-6H2,1H3
InChIKey
JKQSCWDDKIOARF-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13397 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14125 167.0
[M+Na]+ 316.12319 174.5
[M-H]- 292.12669 167.1
[M+NH4]+ 311.16779 178.8
[M+K]+ 332.09713 168.9
[M+H-H2O]+ 276.13123 156.0
[M+HCOO]- 338.13217 184.9
[M+CH3COO]- 352.14782 204.4
[M+Na-2H]- 314.10864 170.0
[M]+ 293.13342 164.7
[M]- 293.13452 164.7
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.