CID 45054754

1-(2-(3-bromobenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H21BrN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC(=CC=C4)Br)OC
InChI
InChI=1S/C27H21BrN2O5/c1-33-24-13-11-19(15-25(24)34-2)27(32)35-23-12-10-17-6-3-4-9-21(17)22(23)16-29-30-26(31)18-7-5-8-20(28)14-18/h3-16H,1-2H3,(H,30,31)/b29-16+
InChIKey
NSTCGNQNFXMVRA-MUFRIFMGSA-N
Compound name
[1-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.06335 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.07063 213.3
[M+Na]+ 555.05257 218.1
[M+NH4]+ 550.09717 215.9
[M+K]+ 571.02651 215.9
[M-H]- 531.05607 218.2
[M+Na-2H]- 553.03802 218.4
[M]+ 532.06280 214.2
[M]- 532.06390 214.2
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.