CID 51060365

4-(2-(2-(1-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C27H21BrN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br)OC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21BrN2O4/c1-18(33-25-12-6-8-20-7-2-3-9-22(20)25)26(31)30-29-17-19-13-15-21(16-14-19)34-27(32)23-10-4-5-11-24(23)28/h2-18H,1H3,(H,30,31)/b29-17+
InChIKey
UZNGZRDIVSLBBN-STBIYBPSSA-N
Compound name
[4-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0685 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.07578 216.2
[M+Na]+ 539.05772 221.7
[M-H]- 515.06122 228.4
[M+NH4]+ 534.10232 225.6
[M+K]+ 555.03166 210.7
[M+H-H2O]+ 499.06576 210.6
[M+HCOO]- 561.06670 235.4
[M+CH3COO]- 575.08235 242.9
[M+Na-2H]- 537.04317 219.0
[M]+ 516.06795 236.1
[M]- 516.06905 236.1
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.