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]+ 264.14952 159.6
[M+Na]+ 286.13146 166.6
[M-H]- 262.13496 165.1
[M+NH4]+ 281.17606 174.9
[M+K]+ 302.10540 160.5
[M+H-H2O]+ 246.13950 150.5
[M+HCOO]- 308.14044 182.9
[M+CH3COO]- 322.15609 170.8
[M+Na-2H]- 284.11691 168.0
[M]+ 263.14169 157.4
[M]- 263.14279 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.