CID 9574289

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methyl-n-[2-methyl-1-[[(e)-4-pyridylmethyleneamino]carbamoyl]propyl]butanamide

Structural Information

Molecular Formula
C24H29Cl2N5O4
SMILES
CC(C)C(C(=O)NC(C(C)C)C(=O)N/N=C/C1=CC=NC=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C24H29Cl2N5O4/c1-14(2)21(29-20(32)13-35-19-6-5-17(25)11-18(19)26)23(33)30-22(15(3)4)24(34)31-28-12-16-7-9-27-10-8-16/h5-12,14-15,21-22H,13H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)/b28-12+
InChIKey
AOSWIAYWYFHWOR-KVSWJAHQSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methyl-N-[3-methyl-1-oxo-1-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.15967 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.16695 222.1
[M+Na]+ 544.14889 223.3
[M-H]- 520.15239 227.4
[M+NH4]+ 539.19349 227.1
[M+K]+ 560.12283 220.1
[M+H-H2O]+ 504.15693 213.5
[M+HCOO]- 566.15787 233.2
[M+CH3COO]- 580.17352 255.0
[M+Na-2H]- 542.13434 217.8
[M]+ 521.15912 227.8
[M]- 521.16022 227.8
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.