CID 9647163

2-amino-3,5-dibromo-n'-(3-methoxybenzylidene)benzohydrazide

Structural Information

Molecular Formula
C15H13Br2N3O2
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C15H13Br2N3O2/c1-22-11-4-2-3-9(5-11)8-19-20-15(21)12-6-10(16)7-13(17)14(12)18/h2-8H,18H2,1H3,(H,20,21)/b19-8+
InChIKey
ZOKVFAZPNNSGTM-UFWORHAWSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.93744 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.94472 170.8
[M+Na]+ 447.92666 178.9
[M-H]- 423.93016 179.8
[M+NH4]+ 442.97126 184.7
[M+K]+ 463.90060 162.3
[M+H-H2O]+ 407.93470 174.3
[M+HCOO]- 469.93564 188.6
[M+CH3COO]- 483.95129 228.1
[M+Na-2H]- 445.91211 174.6
[M]+ 424.93689 203.9
[M]- 424.93799 203.9
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

No patent data available for this compound.