CID 226624

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

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18N2O4/c1-22-14-7-3-12(4-8-14)18-16(20)11-17(21)19-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
MSEFNNYTRUIQHL-UHFFFAOYSA-N
Compound name
N,N'-bis(4-methoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2
Patents

314.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.3
[M+Na]+ 337.11587 177.3
[M-H]- 313.11937 178.8
[M+NH4]+ 332.16047 185.7
[M+K]+ 353.08981 175.1
[M+H-H2O]+ 297.12391 163.3
[M+HCOO]- 359.12485 196.8
[M+CH3COO]- 373.14050 210.5
[M+Na-2H]- 335.10132 175.7
[M]+ 314.12610 174.5
[M]- 314.12720 174.5
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