CID 51060286

4-bromo-2-(2-(2-(2-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 2-cl-benzoate

Structural Information

Molecular Formula
C27H20BrClN2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2Cl)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C27H20BrClN2O4/c1-17(34-22-12-10-18-6-2-3-7-19(18)15-22)26(32)31-30-16-20-14-21(28)11-13-25(20)35-27(33)23-8-4-5-9-24(23)29/h2-17H,1H3,(H,31,32)/b30-16+
InChIKey
DPMPPNOWZFEBIQ-OKCVXOCRSA-N
Compound name
[4-bromo-2-[(E)-(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.0295 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.03678 221.2
[M+Na]+ 573.01872 228.7
[M-H]- 549.02222 233.8
[M+NH4]+ 568.06332 230.8
[M+K]+ 588.99266 216.4
[M+H-H2O]+ 533.02676 216.6
[M+HCOO]- 595.02770 236.4
[M+CH3COO]- 609.04335 247.1
[M+Na-2H]- 571.00417 223.2
[M]+ 550.02895 244.3
[M]- 550.03005 244.3
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.