CID 175327

72939-49-2

Structural Information

Molecular Formula
C16H13NO4
SMILES
COC(=O)C1=CC=CC=C1N=CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H13NO4/c1-19-16(18)12-4-2-3-5-13(12)17-9-11-6-7-14-15(8-11)21-10-20-14/h2-9H,10H2,1H3
InChIKey
QWOXJWQXKCYVAT-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-benzodioxol-5-ylmethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

283.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.091746 162.8
[M+Na]+ 306.073688 170.6
[M-H]- 282.077194 173.2
[M+NH4]+ 301.118293 178.9
[M+K]+ 322.047628 170.3
[M+H-H2O]+ 266.081730 155.5
[M+HCOO]- 328.082671 186.5
[M+CH3COO]- 342.098321 202.2
[M+Na-2H]- 304.059136 169.0
[M]+ 283.08392142 167.4
[M]- 283.08501858 167.4
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.