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 209.2
[M+Na]+ 623.97402 213.1
[M-H]- 599.97752 219.6
[M+NH4]+ 619.01862 216.5
[M+K]+ 639.94796 198.4
[M+H-H2O]+ 583.98206 210.9
[M+HCOO]- 645.98300 224.6
[M+CH3COO]- 659.99865 251.3
[M+Na-2H]- 621.95947 209.8
[M]+ 600.98425 244.1
[M]- 600.98535 244.1
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.