CID 135867735

N'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide

Structural Information

Molecular Formula
C18H12Br2N2O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N/N=C/C3=CC(=C(C(=C3O)Br)O)Br
InChI
InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
InChIKey
LVLHTGJPIBVDTM-ZVBGSRNCSA-N
Compound name
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

461.92148 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.92876 178.7
[M+Na]+ 484.91070 186.8
[M-H]- 460.91420 186.8
[M+NH4]+ 479.95530 191.6
[M+K]+ 500.88464 170.6
[M+H-H2O]+ 444.91874 183.5
[M+HCOO]- 506.91968 193.1
[M+CH3COO]- 520.93533 228.8
[M+Na-2H]- 482.89615 183.1
[M]+ 461.92093 211.7
[M]- 461.92203 211.7
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