CID 9555868

Nsc644477

Structural Information

Molecular Formula
C25H21Cl2N3O3
SMILES
CC1=CC=C(C=C1)N(C(=O)CC(=O)N/N=C(\C)/C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C25H21Cl2N3O3/c1-16-7-13-20(14-8-16)30(25(33)21-5-3-4-6-22(21)27)24(32)15-23(31)29-28-17(2)18-9-11-19(26)12-10-18/h3-14H,15H2,1-2H3,(H,29,31)/b28-17+
InChIKey
FUKGXORJGACBEE-OGLMXYFKSA-N
Compound name
N'-(2-chlorobenzoyl)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.10328 214.3
[M+Na]+ 504.08522 219.2
[M-H]- 480.08872 225.4
[M+NH4]+ 499.12982 223.0
[M+K]+ 520.05916 214.0
[M+H-H2O]+ 464.09326 205.1
[M+HCOO]- 526.09420 229.3
[M+CH3COO]- 540.10985 245.8
[M+Na-2H]- 502.07067 212.4
[M]+ 481.09545 220.2
[M]- 481.09655 220.2
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.