CID 317588

N-(3,4-methylenedioxybenzylidene)benzylamine

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1OC2=C(O1)C=C(C=C2)C=NCC3=CC=CC=C3
InChI
InChI=1S/C15H13NO2/c1-2-4-12(5-3-1)9-16-10-13-6-7-14-15(8-13)18-11-17-14/h1-8,10H,9,11H2
InChIKey
BGNGXFPSLBOGHI-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-benzylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

239.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 151.8
[M+Na]+ 262.08386 159.4
[M-H]- 238.08736 161.8
[M+NH4]+ 257.12846 169.7
[M+K]+ 278.05780 158.2
[M+H-H2O]+ 222.09190 144.7
[M+HCOO]- 284.09284 176.3
[M+CH3COO]- 298.10849 165.5
[M+Na-2H]- 260.06931 160.3
[M]+ 239.09409 154.1
[M]- 239.09519 154.1
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

patents stripe