CID 98796

42487-09-2

Structural Information

Molecular Formula
C14H14Cl2N2O4
SMILES
CC(=O)CC(=O)NC1=CC(=C(C=C1Cl)NC(=O)CC(=O)C)Cl
InChI
InChI=1S/C14H14Cl2N2O4/c1-7(19)3-13(21)17-11-5-10(16)12(6-9(11)15)18-14(22)4-8(2)20/h5-6H,3-4H2,1-2H3,(H,17,21)(H,18,22)
InChIKey
UTAJOMREBNYBAJ-UHFFFAOYSA-N
Compound name
N-[2,5-dichloro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

344.03305 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04033 173.6
[M+Na]+ 367.02227 183.3
[M+NH4]+ 362.06687 178.4
[M+K]+ 382.99621 178.9
[M-H]- 343.02577 173.3
[M+Na-2H]- 365.00772 176.2
[M]+ 344.03250 175.0
[M]- 344.03360 175.0
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

patents stripe