CID 378950

Nsc662458

Structural Information

Molecular Formula
C18H17Cl2N3O3
SMILES
CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)NNCC2=CC=CC=C2Cl
InChI
InChI=1S/C18H17Cl2N3O3/c1-12(24)23(15-8-6-14(19)7-9-15)18(26)10-17(25)22-21-11-13-4-2-3-5-16(13)20/h2-9,21H,10-11H2,1H3,(H,22,25)
InChIKey
DNJJVWCLXXGBAB-UHFFFAOYSA-N
Compound name
N-acetyl-N-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methyl]hydrazinyl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.0647 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.07198 189.8
[M+Na]+ 416.05392 195.3
[M-H]- 392.05742 197.0
[M+NH4]+ 411.09852 201.9
[M+K]+ 432.02786 190.6
[M+H-H2O]+ 376.06196 182.7
[M+HCOO]- 438.06290 205.3
[M+CH3COO]- 452.07855 226.7
[M+Na-2H]- 414.03937 190.2
[M]+ 393.06415 194.5
[M]- 393.06525 194.5
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.