CID 9574288

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

Structural Information

Molecular Formula
C25H31Cl2N5O4
SMILES
CC(C)CC(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/C25H31Cl2N5O4/c1-15(2)11-20(30-22(33)14-36-21-6-5-18(26)12-19(21)27)24(34)31-23(16(3)4)25(35)32-29-13-17-7-9-28-10-8-17/h5-10,12-13,15-16,20,23H,11,14H2,1-4H3,(H,30,33)(H,31,34)(H,32,35)/b29-13+
InChIKey
IPCHJNLBKDCRKT-VFLNYLIXSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methyl-N-[3-methyl-1-oxo-1-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.1753 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.18258 226.4
[M+Na]+ 558.16452 227.1
[M-H]- 534.16802 231.5
[M+NH4]+ 553.20912 230.8
[M+K]+ 574.13846 223.8
[M+H-H2O]+ 518.17256 217.6
[M+HCOO]- 580.17350 237.2
[M+CH3COO]- 594.18915 257.7
[M+Na-2H]- 556.14997 221.6
[M]+ 535.17475 232.4
[M]- 535.17585 232.4
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.