CID 385918

Nsc677380

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.