CID 199347

Pyridine, 3,5-diamino-4-(phenethylamino)-

Structural Information

Molecular Formula
C13H16N4
SMILES
C1=CC=C(C=C1)CCNC2=C(C=NC=C2N)N
InChI
InChI=1S/C13H16N4/c14-11-8-16-9-12(15)13(11)17-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,14-15H2,(H,16,17)
InChIKey
UMBAYFRNLJDMFO-UHFFFAOYSA-N
Compound name
4-N-(2-phenylethyl)pyridine-3,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 150.8
[M+Na]+ 251.12672 157.3
[M-H]- 227.13022 155.4
[M+NH4]+ 246.17132 166.1
[M+K]+ 267.10066 152.5
[M+H-H2O]+ 211.13476 142.2
[M+HCOO]- 273.13570 176.1
[M+CH3COO]- 287.15135 197.7
[M+Na-2H]- 249.11217 157.4
[M]+ 228.13695 146.8
[M]- 228.13805 146.8
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.