CID 457181

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

Structural Information

Molecular Formula
C19H28Cl2N4O4
SMILES
CC(C)CC(C(=O)NC(C(C)C)C(=O)NN)NC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C19H28Cl2N4O4/c1-10(2)7-14(18(27)24-17(11(3)4)19(28)25-22)23-16(26)9-29-15-6-5-12(20)8-13(15)21/h5-6,8,10-11,14,17H,7,9,22H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKey
MJWIUSPTYSMKIY-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.14877 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15605 206.1
[M+Na]+ 469.13799 207.9
[M-H]- 445.14149 208.2
[M+NH4]+ 464.18259 215.1
[M+K]+ 485.11193 205.2
[M+H-H2O]+ 429.14603 200.4
[M+HCOO]- 491.14697 216.6
[M+CH3COO]- 505.16262 241.1
[M+Na-2H]- 467.12344 199.1
[M]+ 446.14822 209.5
[M]- 446.14932 209.5
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.