CID 9574287

2-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetyl]amino]-3-methyl-n-[(e)-4-pyridylmethyleneamino]butanamide

Structural Information

Molecular Formula
C21H23Cl2N5O4
SMILES
CC(C)C(C(=O)N/N=C/C1=CC=NC=C1)NC(=O)CNC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C21H23Cl2N5O4/c1-13(2)20(21(31)28-26-10-14-5-7-24-8-6-14)27-18(29)11-25-19(30)12-32-17-4-3-15(22)9-16(17)23/h3-10,13,20H,11-12H2,1-2H3,(H,25,30)(H,27,29)(H,28,31)/b26-10+
InChIKey
HAIOGQQXIABGDM-NSKAYECMSA-N
Compound name
2-[[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetyl]amino]-3-methyl-N-[(E)-pyridin-4-ylmethylideneamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1127 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.11998 210.4
[M+Na]+ 502.10192 213.3
[M-H]- 478.10542 215.9
[M+NH4]+ 497.14652 217.1
[M+K]+ 518.07586 209.3
[M+H-H2O]+ 462.10996 201.6
[M+HCOO]- 524.11090 224.2
[M+CH3COO]- 538.12655 244.8
[M+Na-2H]- 500.08737 209.5
[M]+ 479.11215 215.9
[M]- 479.11325 215.9
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.