CID 9636147

765913-15-3

Structural Information

Molecular Formula
C25H20BrCl2N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C25H20BrCl2N3O5/c1-2-11-35-19-7-3-15(4-8-19)25(34)36-22-10-5-17(26)12-16(22)14-29-31-24(33)23(32)30-21-13-18(27)6-9-20(21)28/h3-10,12-14H,2,11H2,1H3,(H,30,32)(H,31,33)/b29-14+
InChIKey
LLRJMEJVRSSEMX-IPPBACCNSA-N
Compound name
[4-bromo-2-[(E)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.99634 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.00362 223.0
[M+Na]+ 613.98556 231.3
[M-H]- 589.98906 234.8
[M+NH4]+ 609.03016 231.1
[M+K]+ 629.95950 218.0
[M+H-H2O]+ 573.99360 218.9
[M+HCOO]- 635.99454 236.1
[M+CH3COO]- 650.01019 253.2
[M+Na-2H]- 611.97101 223.0
[M]+ 590.99579 248.5
[M]- 590.99689 248.5
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.