CID 2360210

N,n'-bis[2-(4-methoxyphenyl)ethyl]propanediamide

Structural Information

Molecular Formula
C21H26N2O4
SMILES
COC1=CC=C(C=C1)CCNC(=O)CC(=O)NCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C21H26N2O4/c1-26-18-7-3-16(4-8-18)11-13-22-20(24)15-21(25)23-14-12-17-5-9-19(27-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
BKOWFUHGWRIXDG-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

370.18927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 190.3
[M+Na]+ 393.17849 193.5
[M-H]- 369.18199 196.0
[M+NH4]+ 388.22309 201.4
[M+K]+ 409.15243 190.5
[M+H-H2O]+ 353.18653 180.6
[M+HCOO]- 415.18747 213.5
[M+CH3COO]- 429.20312 222.4
[M+Na-2H]- 391.16394 191.7
[M]+ 370.18872 194.0
[M]- 370.18982 194.0
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