CID 9636712

4-br-2-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 4-propoxybenzoate

Structural Information

Molecular Formula
C31H26BrClN2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C31H26BrClN2O5/c1-2-17-38-26-14-9-22(10-15-26)31(37)40-28-16-11-24(32)18-23(28)19-34-35-30(36)27-5-3-4-6-29(27)39-20-21-7-12-25(33)13-8-21/h3-16,18-19H,2,17,20H2,1H3,(H,35,36)/b34-19+
InChIKey
VJTHWHLMKVMAJB-ALQBTCKLSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.07135 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.07863 239.7
[M+Na]+ 643.06057 246.0
[M-H]- 619.06407 253.9
[M+NH4]+ 638.10517 245.3
[M+K]+ 659.03451 233.6
[M+H-H2O]+ 603.06861 233.2
[M+HCOO]- 665.06955 255.8
[M+CH3COO]- 679.08520 258.3
[M+Na-2H]- 641.04602 239.4
[M]+ 620.07080 264.6
[M]- 620.07190 264.6
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.