CID 9588189

N-methyl-n-(1-methyl-2-phenylethyl)glycine ((4-chloro-1-naphthalenyl)methylene)hydrazide

Structural Information

Molecular Formula
C23H24ClN3O
SMILES
CC(CC1=CC=CC=C1)N(C)CC(=O)N/N=C/C2=CC=C(C3=CC=CC=C23)Cl
InChI
InChI=1S/C23H24ClN3O/c1-17(14-18-8-4-3-5-9-18)27(2)16-23(28)26-25-15-19-12-13-22(24)21-11-7-6-10-20(19)21/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)/b25-15+
InChIKey
KBCVHTBCAOYLSA-MFKUBSTISA-N
Compound name
N-[(E)-(4-chloronaphthalen-1-yl)methylideneamino]-2-[methyl(1-phenylpropan-2-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1608 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16808 197.0
[M+Na]+ 416.15002 201.5
[M-H]- 392.15352 205.9
[M+NH4]+ 411.19462 210.0
[M+K]+ 432.12396 196.0
[M+H-H2O]+ 376.15806 187.5
[M+HCOO]- 438.15900 217.0
[M+CH3COO]- 452.17465 233.8
[M+Na-2H]- 414.13547 199.9
[M]+ 393.16025 200.8
[M]- 393.16135 200.8
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.