CID 68127

495-05-6

Structural Information

Molecular Formula
C15H19N3O2
SMILES
COC1=C(C=C(C=C1)CCNC2=C(C=NC=C2)N)OC
InChI
InChI=1S/C15H19N3O2/c1-19-14-4-3-11(9-15(14)20-2)5-8-18-13-6-7-17-10-12(13)16/h3-4,6-7,9-10H,5,8,16H2,1-2H3,(H,17,18)
InChIKey
ANCFJXIIXVJDGG-UHFFFAOYSA-N
Compound name
4-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 164.3
[M+Na]+ 296.13696 177.2
[M+NH4]+ 291.18156 171.6
[M+K]+ 312.11090 170.1
[M-H]- 272.14046 169.0
[M+Na-2H]- 294.12241 172.6
[M]+ 273.14719 167.4
[M]- 273.14829 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.