CID 101283

71937-10-5

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H11NO4/c17-15(18)11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)20-9-19-13/h1-8H,9H2,(H,17,18)
InChIKey
OKGVQSBODARQNC-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

269.06882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 158.6
[M+Na]+ 292.05804 171.4
[M+NH4]+ 287.10264 166.3
[M+K]+ 308.03198 167.6
[M-H]- 268.06154 165.0
[M+Na-2H]- 290.04349 164.5
[M]+ 269.06827 162.1
[M]- 269.06937 162.1
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