CID 51060476

N-(2-(2-(2-(benzyloxy)-5-br-benzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C26H26BrN3O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C26H26BrN3O4/c1-2-14-33-23-11-8-20(9-12-23)26(32)28-17-25(31)30-29-16-21-15-22(27)10-13-24(21)34-18-19-6-4-3-5-7-19/h3-13,15-16H,2,14,17-18H2,1H3,(H,28,32)(H,30,31)/b29-16+
InChIKey
LXAQRWLUYBXXIP-MUFRIFMGSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.11066 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.11794 216.6
[M+Na]+ 546.09988 221.0
[M-H]- 522.10338 227.8
[M+NH4]+ 541.14448 224.9
[M+K]+ 562.07382 209.0
[M+H-H2O]+ 506.10792 210.0
[M+HCOO]- 568.10886 238.4
[M+CH3COO]- 582.12451 246.3
[M+Na-2H]- 544.08533 218.7
[M]+ 523.11011 237.4
[M]- 523.11121 237.4
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.