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 163.3
[M+Na]+ 296.13696 170.4
[M-H]- 272.14046 168.4
[M+NH4]+ 291.18156 177.5
[M+K]+ 312.11090 166.8
[M+H-H2O]+ 256.14500 154.2
[M+HCOO]- 318.14594 187.9
[M+CH3COO]- 332.16159 204.6
[M+Na-2H]- 294.12241 168.5
[M]+ 273.14719 164.8
[M]- 273.14829 164.8
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.