CID 155970679

[2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl](2-methoxyethyl)amine hydrochloride

Structural Information

Molecular Formula
C16H19F2N3O
SMILES
CC1=CN=C(N=C1)C(CC2=C(C=C(C=C2)F)F)NCCOC
InChI
InChI=1S/C16H19F2N3O/c1-11-9-20-16(21-10-11)15(19-5-6-22-2)7-12-3-4-13(17)8-14(12)18/h3-4,8-10,15,19H,5-7H2,1-2H3
InChIKey
QMETZNUCWOFKFE-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-N-(2-methoxyethyl)-1-(5-methylpyrimidin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15691 171.5
[M+Na]+ 330.13885 178.9
[M-H]- 306.14235 172.7
[M+NH4]+ 325.18345 183.4
[M+K]+ 346.11279 174.0
[M+H-H2O]+ 290.14689 159.8
[M+HCOO]- 352.14783 190.5
[M+CH3COO]- 366.16348 209.9
[M+Na-2H]- 328.12430 174.3
[M]+ 307.14908 171.3
[M]- 307.15018 171.3
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.