CID 9636346

2-meo-4-(2-(((4-propoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C27H26BrN3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C27H26BrN3O6/c1-3-13-36-22-10-8-19(9-11-22)26(33)29-17-25(32)31-30-16-18-7-12-23(24(14-18)35-2)37-27(34)20-5-4-6-21(28)15-20/h4-12,14-16H,3,13,17H2,1-2H3,(H,29,33)(H,31,32)/b30-16+
InChIKey
FVXPJGAAAGDKHZ-OKCVXOCRSA-N
Compound name
[2-methoxy-4-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.1005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.10778 224.1
[M+Na]+ 590.08972 228.2
[M-H]- 566.09322 235.5
[M+NH4]+ 585.13432 230.6
[M+K]+ 606.06366 218.0
[M+H-H2O]+ 550.09776 217.1
[M+HCOO]- 612.09870 245.1
[M+CH3COO]- 626.11435 253.9
[M+Na-2H]- 588.07517 224.4
[M]+ 567.09995 246.8
[M]- 567.10105 246.8
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.