CID 90595

Butanamide, n,n'-1,4-phenylenebis[3-oxo-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

276.111 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe