CID 9639043

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

Structural Information

Molecular Formula
C25H25N3O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=CC(=C3)C
InChI
InChI=1S/C25H25N3O3/c1-18-6-8-21(9-7-18)17-31-23-12-10-20(11-13-23)15-27-28-24(29)16-26-25(30)22-5-3-4-19(2)14-22/h3-15H,16-17H2,1-2H3,(H,26,30)(H,28,29)/b27-15+
InChIKey
GDXIYOUEEGWDEG-JFLMPSFJSA-N
Compound name
3-methyl-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

415.1896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19688 204.3
[M+Na]+ 438.17882 216.6
[M+NH4]+ 433.22342 210.2
[M+K]+ 454.15276 208.2
[M-H]- 414.18232 211.6
[M+Na-2H]- 436.16427 213.7
[M]+ 415.18905 207.9
[M]- 415.19015 207.9
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.