CID 3060380

Brn 4488735

Structural Information

Molecular Formula
C15H20N4
SMILES
CCN(CCNC1=C(C=NC=C1)N)C2=CC=CC=C2
InChI
InChI=1S/C15H20N4/c1-2-19(13-6-4-3-5-7-13)11-10-18-15-8-9-17-12-14(15)16/h3-9,12H,2,10-11,16H2,1H3,(H,17,18)
InChIKey
BDLYPAFWKHYWSO-UHFFFAOYSA-N
Compound name
4-N-[2-(N-ethylanilino)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.176076 159.7
[M+Na]+ 279.158018 164.4
[M-H]- 255.161524 165.4
[M+NH4]+ 274.202623 174.4
[M+K]+ 295.131958 160.9
[M+H-H2O]+ 239.166060 150.1
[M+HCOO]- 301.167001 185.4
[M+CH3COO]- 315.182651 206.4
[M+Na-2H]- 277.143466 166.2
[M]+ 256.16825142 158.2
[M]- 256.16934858 158.2
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.