CID 135499197

Nsc644475

Structural Information

Molecular Formula
C25H22ClN3O5
SMILES
CC1=CC=C(C=C1)N(C(=O)CC(=O)N/N=C/C2=CC(=C(C=C2)O)OC)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H22ClN3O5/c1-16-3-10-20(11-4-16)29(25(33)18-6-8-19(26)9-7-18)24(32)14-23(31)28-27-15-17-5-12-21(30)22(13-17)34-2/h3-13,15,30H,14H2,1-2H3,(H,28,31)/b27-15+
InChIKey
GETJXGCHNGNISH-JFLMPSFJSA-N
Compound name
N'-(4-chlorobenzoyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1248 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.13208 213.9
[M+Na]+ 502.11402 218.4
[M-H]- 478.11752 224.7
[M+NH4]+ 497.15862 221.4
[M+K]+ 518.08796 214.9
[M+H-H2O]+ 462.12206 203.7
[M+HCOO]- 524.12300 233.6
[M+CH3COO]- 538.13865 245.1
[M+Na-2H]- 500.09947 213.0
[M]+ 479.12425 219.7
[M]- 479.12535 219.7
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.