CID 458829

N,n'-bis(4-methoxyphenyl)butanediamide

Structural Information

Molecular Formula
C18H20N2O4
SMILES
COC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20N2O4/c1-23-15-7-3-13(4-8-15)19-17(21)11-12-18(22)20-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
UPPWPFCEOQWHMO-UHFFFAOYSA-N
Compound name
N,N'-bis(4-methoxyphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 176.8
[M+Na]+ 351.13152 181.4
[M-H]- 327.13502 183.2
[M+NH4]+ 346.17612 189.7
[M+K]+ 367.10546 178.9
[M+H-H2O]+ 311.13956 167.7
[M+HCOO]- 373.14050 201.0
[M+CH3COO]- 387.15615 213.5
[M+Na-2H]- 349.11697 179.7
[M]+ 328.14175 179.4
[M]- 328.14285 179.4
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