CID 98645

13733-33-0

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(=O)CC(=O)NC1=CC(=CC=C1)NC(=O)CC(=O)C
InChI
InChI=1S/C14H16N2O4/c1-9(17)6-13(19)15-11-4-3-5-12(8-11)16-14(20)7-10(2)18/h3-5,8H,6-7H2,1-2H3,(H,15,19)(H,16,20)
InChIKey
MSAABPAPRGCKNY-UHFFFAOYSA-N
Compound name
3-oxo-N-[3-(3-oxobutanoylamino)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

276.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 163.1
[M+Na]+ 299.10022 167.5
[M-H]- 275.10372 166.4
[M+NH4]+ 294.14482 178.1
[M+K]+ 315.07416 166.3
[M+H-H2O]+ 259.10826 155.8
[M+HCOO]- 321.10920 185.7
[M+CH3COO]- 335.12485 204.7
[M+Na-2H]- 297.08567 163.7
[M]+ 276.11045 163.9
[M]- 276.11155 163.9
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