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]+ 257.17608 159.7
[M+Na]+ 279.15802 164.4
[M-H]- 255.16152 165.4
[M+NH4]+ 274.20262 174.4
[M+K]+ 295.13196 160.9
[M+H-H2O]+ 239.16606 150.1
[M+HCOO]- 301.16700 185.4
[M+CH3COO]- 315.18265 206.4
[M+Na-2H]- 277.14347 166.2
[M]+ 256.16825 158.2
[M]- 256.16935 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.