CID 51060313

4-bromo-2-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H22Br2N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br)OC
InChI
InChI=1S/C28H22Br2N2O6/c1-35-23-10-8-18(14-25(23)36-2)28(34)38-22-12-9-20(29)13-19(22)15-31-32-26(33)16-37-24-11-7-17-5-3-4-6-21(17)27(24)30/h3-15H,16H2,1-2H3,(H,32,33)/b31-15+
InChIKey
UEPGTFKKXDRMHW-IBBHUPRXSA-N
Compound name
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

639.98444 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.99172 218.2
[M+Na]+ 662.97366 222.9
[M-H]- 638.97716 229.3
[M+NH4]+ 658.01826 225.2
[M+K]+ 678.94760 210.2
[M+H-H2O]+ 622.98170 220.3
[M+HCOO]- 684.98264 232.1
[M+CH3COO]- 698.99829 256.5
[M+Na-2H]- 660.95911 219.3
[M]+ 639.98389 255.8
[M]- 639.98499 255.8
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.