CID 76154

4-amino-3-phenethylaminopyridine

Structural Information

Molecular Formula
C13H15N3
SMILES
C1=CC=C(C=C1)CCNC2=C(C=CN=C2)N
InChI
InChI=1S/C13H15N3/c14-12-7-8-15-10-13(12)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H2,14,15)
InChIKey
ZCMIOMUVKRVROU-UHFFFAOYSA-N
Compound name
3-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]+ 214.13388 146.9
[M+Na]+ 236.11582 153.3
[M-H]- 212.11932 151.6
[M+NH4]+ 231.16042 163.2
[M+K]+ 252.08976 148.8
[M+H-H2O]+ 196.12386 138.4
[M+HCOO]- 258.12480 171.8
[M+CH3COO]- 272.14045 191.9
[M+Na-2H]- 234.10127 154.9
[M]+ 213.12605 144.2
[M]- 213.12715 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.