CID 9623323

1-(2-(((3-bromobenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H19BrClN3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H19BrClN3O4/c28-20-6-3-5-19(14-20)26(34)30-16-25(33)32-31-15-23-22-7-2-1-4-17(22)10-13-24(23)36-27(35)18-8-11-21(29)12-9-18/h1-15H,16H2,(H,30,34)(H,32,33)/b31-15+
InChIKey
CWKAMJJRRGAVAV-IBBHUPRXSA-N
Compound name
[1-[(E)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.0248 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.03208 222.4
[M+Na]+ 586.01402 229.2
[M-H]- 562.01752 234.7
[M+NH4]+ 581.05862 231.0
[M+K]+ 601.98796 216.3
[M+H-H2O]+ 546.02206 217.2
[M+HCOO]- 608.02300 238.6
[M+CH3COO]- 622.03865 250.9
[M+Na-2H]- 583.99947 225.1
[M]+ 563.02425 244.1
[M]- 563.02535 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.