CID 793871

53641-10-4

Structural Information

Molecular Formula
C14H15ClN2O4
SMILES
CC(=O)CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(=O)C)Cl
InChI
InChI=1S/C14H15ClN2O4/c1-8(18)5-13(20)16-10-3-4-12(11(15)7-10)17-14(21)6-9(2)19/h3-4,7H,5-6H2,1-2H3,(H,16,20)(H,17,21)
InChIKey
RDHJAUVESAEJQX-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

310.07202 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07930 168.3
[M+Na]+ 333.06124 174.5
[M-H]- 309.06474 172.0
[M+NH4]+ 328.10584 183.2
[M+K]+ 349.03518 171.4
[M+H-H2O]+ 293.06928 162.5
[M+HCOO]- 355.07022 186.6
[M+CH3COO]- 369.08587 209.6
[M+Na-2H]- 331.04669 168.0
[M]+ 310.07147 171.9
[M]- 310.07257 171.9
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