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]+ 247.135356 154.6
[M+Na]+ 269.117298 161.2
[M-H]- 245.120804 157.9
[M+NH4]+ 264.161903 168.7
[M+K]+ 285.091238 157.3
[M+H-H2O]+ 229.125340 143.9
[M+HCOO]- 291.126281 177.6
[M+CH3COO]- 305.141931 200.7
[M+Na-2H]- 267.102746 161.3
[M]+ 246.12753142 152.6
[M]- 246.12862858 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.