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]+ 308.156906 171.5
[M+Na]+ 330.138848 178.9
[M-H]- 306.142354 172.7
[M+NH4]+ 325.183453 183.4
[M+K]+ 346.112788 174.0
[M+H-H2O]+ 290.146890 159.8
[M+HCOO]- 352.147831 190.5
[M+CH3COO]- 366.163481 209.9
[M+Na-2H]- 328.124296 174.3
[M]+ 307.14908142 171.3
[M]- 307.15017858 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.