CID 135499198

Nsc644479

Structural Information

Molecular Formula
C24H21N3O4
SMILES
CC1=CC=C(C=C1)N(C(=O)CC(=O)N/N=C/C2=CC=CC=C2O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H21N3O4/c1-17-11-13-20(14-12-17)27(24(31)18-7-3-2-4-8-18)23(30)15-22(29)26-25-16-19-9-5-6-10-21(19)28/h2-14,16,28H,15H2,1H3,(H,26,29)/b25-16+
InChIKey
BYVWWLQXSNKFOR-PCLIKHOPSA-N
Compound name
N'-benzoyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-N'-(4-methylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1532 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16048 199.9
[M+Na]+ 438.14242 202.4
[M-H]- 414.14592 210.1
[M+NH4]+ 433.18702 208.4
[M+K]+ 454.11636 199.5
[M+H-H2O]+ 398.15046 188.7
[M+HCOO]- 460.15140 224.0
[M+CH3COO]- 474.16705 234.1
[M+Na-2H]- 436.12787 201.0
[M]+ 415.15265 200.2
[M]- 415.15375 200.2
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.