CID 205794

Pyridine, 3-amino-4-((2-(2-naphthyl)ethyl)amino)-, monohydrochloride, hydrate

Structural Information

Molecular Formula
C17H17N3
SMILES
C1=CC=C2C=C(C=CC2=C1)CCNC3=C(C=NC=C3)N
InChI
InChI=1S/C17H17N3/c18-16-12-19-9-8-17(16)20-10-7-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,8-9,11-12H,7,10,18H2,(H,19,20)
InChIKey
NWCDHFBWOOIQEY-UHFFFAOYSA-N
Compound name
4-N-(2-naphthalen-2-ylethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.149516 159.6
[M+Na]+ 286.131458 166.6
[M-H]- 262.134964 165.1
[M+NH4]+ 281.176063 174.9
[M+K]+ 302.105398 160.5
[M+H-H2O]+ 246.139500 150.5
[M+HCOO]- 308.140441 182.9
[M+CH3COO]- 322.156091 170.8
[M+Na-2H]- 284.116906 168.0
[M]+ 263.14169142 157.4
[M]- 263.14278858 157.4
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.