CID 457182

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

Structural Information

Molecular Formula
C18H26Cl2N4O4
SMILES
CC(C)C(C(=O)NC(C(C)C)C(=O)NN)NC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C18H26Cl2N4O4/c1-9(2)15(17(26)23-16(10(3)4)18(27)24-21)22-14(25)8-28-13-6-5-11(19)7-12(13)20/h5-7,9-10,15-16H,8,21H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKey
VBQUNNRPPCGEGE-UHFFFAOYSA-N
Compound name
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.13312 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14040 201.7
[M+Na]+ 455.12234 203.9
[M-H]- 431.12584 203.9
[M+NH4]+ 450.16694 211.3
[M+K]+ 471.09628 201.4
[M+H-H2O]+ 415.13038 196.2
[M+HCOO]- 477.13132 212.5
[M+CH3COO]- 491.14697 238.3
[M+Na-2H]- 453.10779 195.1
[M]+ 432.13257 204.7
[M]- 432.13367 204.7
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.