CID 9570794

Beta-alanine, n-methyl-n-(alpha-methylphenethyl)-, 2-(2-naphthylmethylene)hydrazide

Structural Information

Molecular Formula
C24H27N3O
SMILES
CC(CC1=CC=CC=C1)N(C)CCC(=O)N/N=C/C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C24H27N3O/c1-19(16-20-8-4-3-5-9-20)27(2)15-14-24(28)26-25-18-21-12-13-22-10-6-7-11-23(22)17-21/h3-13,17-19H,14-16H2,1-2H3,(H,26,28)/b25-18+
InChIKey
AAHPTYCQQUEIIU-XIEYBQDHSA-N
Compound name
3-[methyl(1-phenylpropan-2-yl)amino]-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.222696 193.2
[M+Na]+ 396.204638 195.4
[M-H]- 372.208144 201.6
[M+NH4]+ 391.249243 205.6
[M+K]+ 412.178578 191.3
[M+H-H2O]+ 356.212680 182.4
[M+HCOO]- 418.213621 217.3
[M+CH3COO]- 432.229271 232.1
[M+Na-2H]- 394.190086 196.9
[M]+ 373.21487142 194.2
[M]- 373.21596858 194.2
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.