CID 135521397

Nsc664870

Structural Information

Molecular Formula
C23H18ClN3O4
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)N/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C23H18ClN3O4/c24-18-10-12-19(13-11-18)27(23(31)16-6-2-1-3-7-16)22(30)14-21(29)26-25-15-17-8-4-5-9-20(17)28/h1-13,15,28H,14H2,(H,26,29)/b25-15+
InChIKey
MPNKGKIPPKYMHS-MFKUBSTISA-N
Compound name
N'-benzoyl-N'-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.09857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10585 202.2
[M+Na]+ 458.08779 206.1
[M-H]- 434.09129 212.6
[M+NH4]+ 453.13239 211.1
[M+K]+ 474.06173 201.8
[M+H-H2O]+ 418.09583 192.2
[M+HCOO]- 480.09677 222.4
[M+CH3COO]- 494.11242 234.5
[M+Na-2H]- 456.07324 203.5
[M]+ 435.09802 205.1
[M]- 435.09912 205.1
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.