CID 45054855

2-cl-n-(2-(2-(4-((4-methylbenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C24H22ClN3O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C24H22ClN3O3/c1-17-6-8-19(9-7-17)16-31-20-12-10-18(11-13-20)14-27-28-23(29)15-26-24(30)21-4-2-3-5-22(21)25/h2-14H,15-16H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
IGEIGVVVFDZRIX-MZJWZYIUSA-N
Compound name
2-chloro-N-[2-[(2E)-2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.13498 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.14226 205.7
[M+Na]+ 458.12420 210.5
[M-H]- 434.12770 215.9
[M+NH4]+ 453.16880 215.1
[M+K]+ 474.09814 204.5
[M+H-H2O]+ 418.13224 195.2
[M+HCOO]- 480.13318 227.0
[M+CH3COO]- 494.14883 236.0
[M+Na-2H]- 456.10965 207.7
[M]+ 435.13443 209.6
[M]- 435.13553 209.6
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.