CID 9631207

765305-16-6

Structural Information

Molecular Formula
C28H22BrN3O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=C(C=C4)Br)OC
InChI
InChI=1S/C28H22BrN3O6/c1-36-24-14-8-18(15-25(24)37-2)28(35)38-23-13-7-17-5-3-4-6-21(17)22(23)16-30-32-27(34)26(33)31-20-11-9-19(29)10-12-20/h3-16H,1-2H3,(H,31,33)(H,32,34)/b30-16+
InChIKey
PCSBUDYHSJHPNN-OKCVXOCRSA-N
Compound name
[1-[(E)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.0692 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.07648 225.6
[M+Na]+ 598.05842 230.8
[M-H]- 574.06192 238.1
[M+NH4]+ 593.10302 232.5
[M+K]+ 614.03236 221.2
[M+H-H2O]+ 558.06646 218.8
[M+HCOO]- 620.06740 245.6
[M+CH3COO]- 634.08305 255.4
[M+Na-2H]- 596.04387 227.8
[M]+ 575.06865 247.5
[M]- 575.06975 247.5
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.