CID 9639160

769142-77-0

Structural Information

Molecular Formula
C25H21Br2N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C25H21Br2N3O5/c1-2-13-34-21-10-3-16(4-11-21)25(33)35-22-12-7-19(27)14-17(22)15-28-30-24(32)23(31)29-20-8-5-18(26)6-9-20/h3-12,14-15H,2,13H2,1H3,(H,29,31)(H,30,32)/b28-15+
InChIKey
AVPYYPXMDIXLAS-RWPZCVJISA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.9848 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.99208 202.7
[M+Na]+ 623.97402 196.6
[M+NH4]+ 619.01862 202.0
[M+K]+ 639.94796 202.2
[M-H]- 599.97752 205.2
[M+Na-2H]- 621.95947 203.8
[M]+ 600.98425 201.3
[M]- 600.98535 201.3
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.