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]+ 229.144776 150.8
[M+Na]+ 251.126718 157.3
[M-H]- 227.130224 155.4
[M+NH4]+ 246.171323 166.1
[M+K]+ 267.100658 152.5
[M+H-H2O]+ 211.134760 142.2
[M+HCOO]- 273.135701 176.1
[M+CH3COO]- 287.151351 197.7
[M+Na-2H]- 249.112166 157.4
[M]+ 228.13695142 146.8
[M]- 228.13804858 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.