CID 9620764

4-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C25H17BrN2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br)O
InChI
InChI=1S/C25H17BrN2O4/c26-22-8-4-3-7-20(22)25(31)32-19-11-9-16(10-12-19)15-27-28-24(30)21-13-17-5-1-2-6-18(17)14-23(21)29/h1-15,29H,(H,28,30)/b27-15+
InChIKey
ROKGGSNZGPEPDH-JFLMPSFJSA-N
Compound name
[4-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.03717 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.04445 207.3
[M+Na]+ 511.02639 214.5
[M-H]- 487.02989 219.0
[M+NH4]+ 506.07099 217.6
[M+K]+ 527.00033 202.6
[M+H-H2O]+ 471.03443 202.4
[M+HCOO]- 533.03537 226.8
[M+CH3COO]- 547.05102 236.0
[M+Na-2H]- 509.01184 211.2
[M]+ 488.03662 226.1
[M]- 488.03772 226.1
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.