CID 9624569

2-amino-n'-(4-(benzyloxy)benzylidene)-3,5-dibromobenzohydrazide

Structural Information

Molecular Formula
C21H17Br2N3O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C(=CC(=C3)Br)Br)N
InChI
InChI=1S/C21H17Br2N3O2/c22-16-10-18(20(24)19(23)11-16)21(27)26-25-12-14-6-8-17(9-7-14)28-13-15-4-2-1-3-5-15/h1-12H,13,24H2,(H,26,27)/b25-12+
InChIKey
NNUWICMSHAXDRR-BRJLIKDPSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.96875 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.97603 191.1
[M+Na]+ 523.95797 197.5
[M-H]- 499.96147 201.8
[M+NH4]+ 519.00257 202.1
[M+K]+ 539.93191 181.0
[M+H-H2O]+ 483.96601 194.0
[M+HCOO]- 545.96695 208.2
[M+CH3COO]- 559.98260 238.4
[M+Na-2H]- 521.94342 194.1
[M]+ 500.96820 223.8
[M]- 500.96930 223.8
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.