CID 9632710

N-(2-(2-(2-((4-br-benzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)-4-meo-benzamide

Structural Information

Molecular Formula
C24H22BrN3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H22BrN3O4/c1-31-21-12-8-18(9-13-21)24(30)26-15-23(29)28-27-14-19-4-2-3-5-22(19)32-16-17-6-10-20(25)11-7-17/h2-14H,15-16H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
JBARVISLMQGYOG-MZJWZYIUSA-N
Compound name
N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.07938 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08666 207.9
[M+Na]+ 518.06860 213.3
[M-H]- 494.07210 219.6
[M+NH4]+ 513.11320 217.4
[M+K]+ 534.04254 201.7
[M+H-H2O]+ 478.07664 201.8
[M+HCOO]- 540.07758 230.5
[M+CH3COO]- 554.09323 240.9
[M+Na-2H]- 516.05405 211.1
[M]+ 495.07883 228.3
[M]- 495.07993 228.3
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.