CID 10038269

Systebryl

Structural Information

Molecular Formula
C13H11NO5
SMILES
C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C13H11NO5/c15-9-3-1-7(5-11(9)17)13(19)14-8-2-4-10(16)12(18)6-8/h1-6,15-18H,(H,14,19)
InChIKey
XIKSEDLKDYKPTO-UHFFFAOYSA-N
Compound name
N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

261.06372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07100 156.9
[M+Na]+ 284.05294 168.3
[M+NH4]+ 279.09754 162.4
[M+K]+ 300.02688 164.6
[M-H]- 260.05644 158.4
[M+Na-2H]- 282.03839 162.3
[M]+ 261.06317 158.6
[M]- 261.06427 158.6
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

patents stripe