CID 9632808

4-br-2-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C26H17BrClN3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C26H17BrClN3O4/c27-18-12-13-23(35-26(34)20-9-3-4-10-21(20)28)17(14-18)15-29-31-25(33)24(32)30-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,30,32)(H,31,33)/b29-15+
InChIKey
HINVYVNZSJLPPT-WKULSOCRSA-N
Compound name
[4-bromo-2-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.0091 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.01638 218.3
[M+Na]+ 571.99832 225.7
[M-H]- 548.00182 231.0
[M+NH4]+ 567.04292 227.6
[M+K]+ 587.97226 213.0
[M+H-H2O]+ 532.00636 213.5
[M+HCOO]- 594.00730 234.9
[M+CH3COO]- 608.02295 247.7
[M+Na-2H]- 569.98377 221.5
[M]+ 549.00855 239.7
[M]- 549.00965 239.7
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.