CID 3042196

59180-54-0

Structural Information

Molecular Formula
C26H25Cl2N3O3
SMILES
CN(CC(=O)N(CCC1=CC=CC=C1)C(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C26H25Cl2N3O3/c1-30(17-25(33)31(24(32)16-29)14-13-18-7-3-2-4-8-18)23-12-11-19(27)15-21(23)26(34)20-9-5-6-10-22(20)28/h2-12,15H,13-14,16-17,29H2,1H3
InChIKey
NYSOINTUZWDISR-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]acetyl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1273 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.13458 218.7
[M+Na]+ 520.11652 231.3
[M+NH4]+ 515.16112 224.5
[M+K]+ 536.09046 223.3
[M-H]- 496.12002 225.3
[M+Na-2H]- 518.10197 226.7
[M]+ 497.12675 222.8
[M]- 497.12785 222.8
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.