CID 9631881

4-bromo-2-(2-(1-naphthoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C28H23BrN2O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H23BrN2O4/c1-2-16-34-23-13-10-20(11-14-23)28(33)35-26-15-12-22(29)17-21(26)18-30-31-27(32)25-9-5-7-19-6-3-4-8-24(19)25/h3-15,17-18H,2,16H2,1H3,(H,31,32)/b30-18+
InChIKey
JSBMREFYTIDZLZ-UXHLAJHPSA-N
Compound name
[4-bromo-2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.0841 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.09138 220.9
[M+Na]+ 553.07332 227.1
[M-H]- 529.07682 233.2
[M+NH4]+ 548.11792 230.1
[M+K]+ 569.04726 215.4
[M+H-H2O]+ 513.08136 215.0
[M+HCOO]- 575.08230 240.6
[M+CH3COO]- 589.09795 246.0
[M+Na-2H]- 551.05877 223.5
[M]+ 530.08355 242.0
[M]- 530.08465 242.0
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.