CID 914006

N-(4-pyridinylmethylene)-1,3-benzodioxol-5-amine monohydrochloride

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1OC2=C(O1)C=C(C=C2)N=CC3=CC=NC=C3
InChI
InChI=1S/C13H10N2O2/c1-2-12-13(17-9-16-12)7-11(1)15-8-10-3-5-14-6-4-10/h1-8H,9H2
InChIKey
LRUCDCZBQUBQED-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 148.0
[M+Na]+ 249.06345 162.6
[M+NH4]+ 244.10805 157.1
[M+K]+ 265.03739 157.1
[M-H]- 225.06695 155.5
[M+Na-2H]- 247.04890 156.1
[M]+ 226.07368 152.3
[M]- 226.07478 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.