CID 69298

Malonanilide

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H14N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKey
YYAQOJILQOVUSK-UHFFFAOYSA-N
Compound name
N,N'-diphenylpropanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

1354
Patents

254.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.3
[M+Na]+ 277.09475 161.7
[M-H]- 253.09825 163.5
[M+NH4]+ 272.13935 172.8
[M+K]+ 293.06869 158.5
[M+H-H2O]+ 237.10279 149.0
[M+HCOO]- 299.10373 182.3
[M+CH3COO]- 313.11938 197.8
[M+Na-2H]- 275.08020 163.2
[M]+ 254.10498 155.3
[M]- 254.10608 155.3
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.