CID 9637277

4-bromo-2-(2-((1-naphthyloxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H21BrN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21BrN2O5/c1-33-22-12-9-19(10-13-22)27(32)35-24-14-11-21(28)15-20(24)16-29-30-26(31)17-34-25-8-4-6-18-5-2-3-7-23(18)25/h2-16H,17H2,1H3,(H,30,31)/b29-16+
InChIKey
DBNWLRXPDQZHPE-MUFRIFMGSA-N
Compound name
[4-bromo-2-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.06335 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.07063 218.3
[M+Na]+ 555.05257 224.6
[M-H]- 531.05607 230.8
[M+NH4]+ 550.09717 227.4
[M+K]+ 571.02651 214.0
[M+H-H2O]+ 515.06061 212.3
[M+HCOO]- 577.06155 238.5
[M+CH3COO]- 591.07720 245.3
[M+Na-2H]- 553.03802 221.7
[M]+ 532.06280 240.4
[M]- 532.06390 240.4
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.