CID 135515633

Chembl4550080

Structural Information

Molecular Formula
C19H15BrN2O4
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC(=O)N/N=C\C3=CC(=C(C(=C3)Br)O)O
InChI
InChI=1S/C19H15BrN2O4/c20-16-7-12(8-17(23)19(16)25)10-21-22-18(24)11-26-15-6-5-13-3-1-2-4-14(13)9-15/h1-10,23,25H,11H2,(H,22,24)/b21-10-
InChIKey
DWMRKCWNTNDNOQ-FBHDLOMBSA-N
Compound name
N-[(Z)-(3-bromo-4,5-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

414.0215 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02878 185.6
[M+Na]+ 437.01072 194.2
[M-H]- 413.01422 193.8
[M+NH4]+ 432.05532 199.1
[M+K]+ 452.98466 182.0
[M+H-H2O]+ 397.01876 182.1
[M+HCOO]- 459.01970 205.5
[M+CH3COO]- 473.03535 221.4
[M+Na-2H]- 434.99617 191.1
[M]+ 414.02095 204.9
[M]- 414.02205 204.9
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