CID 9675222

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

Structural Information

Molecular Formula
C22H19Br2N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N)OCC3=CC=CC=C3
InChI
InChI=1S/C22H19Br2N3O3/c1-29-20-9-15(7-8-19(20)30-13-14-5-3-2-4-6-14)12-26-27-22(28)17-10-16(23)11-18(24)21(17)25/h2-12H,13,25H2,1H3,(H,27,28)/b26-12+
InChIKey
HKEDRPJYGTYVPB-RPPGKUMJSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.9793 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.98658 196.8
[M+Na]+ 553.96852 203.0
[M-H]- 529.97202 207.4
[M+NH4]+ 549.01312 206.8
[M+K]+ 569.94246 187.1
[M+H-H2O]+ 513.97656 199.1
[M+HCOO]- 575.97750 213.6
[M+CH3COO]- 589.99315 243.2
[M+Na-2H]- 551.95397 198.8
[M]+ 530.97875 230.8
[M]- 530.97985 230.8
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.