CID 67978

3-amino-4-phenethylaminopyridine

Structural Information

Molecular Formula
C13H15N3
SMILES
C1=CC=C(C=C1)CCNC2=C(C=NC=C2)N
InChI
InChI=1S/C13H15N3/c14-12-10-15-8-7-13(12)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,14H2,(H,15,16)
InChIKey
GTPRIIRYAKHRTI-UHFFFAOYSA-N
Compound name
4-N-(2-phenylethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.133876 146.9
[M+Na]+ 236.115818 153.3
[M-H]- 212.119324 151.6
[M+NH4]+ 231.160423 163.2
[M+K]+ 252.089758 148.8
[M+H-H2O]+ 196.123860 138.4
[M+HCOO]- 258.124801 171.8
[M+CH3COO]- 272.140451 191.9
[M+Na-2H]- 234.101266 154.9
[M]+ 213.12605142 144.2
[M]- 213.12714858 144.2
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.