CID 104606058

N-(2-aminoethyl)-n-benzyl-5-fluoropyrimidin-2-amine

Structural Information

Molecular Formula
C13H15FN4
SMILES
C1=CC=C(C=C1)CN(CCN)C2=NC=C(C=N2)F
InChI
InChI=1S/C13H15FN4/c14-12-8-16-13(17-9-12)18(7-6-15)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2
InChIKey
FGNGHCXIERITQU-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13536 154.6
[M+Na]+ 269.11730 161.2
[M-H]- 245.12080 157.9
[M+NH4]+ 264.16190 168.7
[M+K]+ 285.09124 157.3
[M+H-H2O]+ 229.12534 143.9
[M+HCOO]- 291.12628 177.6
[M+CH3COO]- 305.14193 200.7
[M+Na-2H]- 267.10275 161.3
[M]+ 246.12753 152.6
[M]- 246.12863 152.6
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.