CID 3058417

3,4-diethoxy-n-(4-pyridinylmethylene)benzenamine monohydrochloride

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CCOC1=C(C=C(C=C1)N=CC2=CC=NC=C2)OCC
InChI
InChI=1S/C16H18N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-12H,3-4H2,1-2H3
InChIKey
XXXUKZCWLJYOOY-UHFFFAOYSA-N
Compound name
N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 162.6
[M+Na]+ 293.12606 170.0
[M-H]- 269.12956 169.2
[M+NH4]+ 288.17066 178.0
[M+K]+ 309.10000 166.8
[M+H-H2O]+ 253.13410 153.2
[M+HCOO]- 315.13504 188.2
[M+CH3COO]- 329.15069 202.9
[M+Na-2H]- 291.11151 169.1
[M]+ 270.13629 166.8
[M]- 270.13739 166.8
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.