CID 90481569

N-(1,3-benzodioxol-5-ylmethylene)-2-pyrimidinamine

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/C3=NC=CC=N3
InChI
InChI=1S/C12H9N3O2/c1-4-13-12(14-5-1)15-7-9-2-3-10-11(6-9)17-8-16-10/h1-7H,8H2/b15-7+
InChIKey
SMUJSDKILCPWTJ-VIZOYTHASA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-N-pyrimidin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07675 147.8
[M+Na]+ 250.05869 162.3
[M+NH4]+ 245.10329 156.2
[M+K]+ 266.03263 157.4
[M-H]- 226.06219 154.4
[M+Na-2H]- 248.04414 155.7
[M]+ 227.06892 151.7
[M]- 227.07002 151.7
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.