CID 9820843

Schembl12013653

Structural Information

Molecular Formula
C20H40N2O4
SMILES
COCCCNC(=O)CCCCCCCCCCC(=O)NCCCOC
InChI
InChI=1S/C20H40N2O4/c1-25-17-11-15-21-19(23)13-9-7-5-3-4-6-8-10-14-20(24)22-16-12-18-26-2/h3-18H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
HXURVTIGRDPYJY-UHFFFAOYSA-N
Compound name
N,N'-bis(3-methoxypropyl)dodecanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

372.2988 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.30608 198.8
[M+Na]+ 395.28802 198.4
[M-H]- 371.29152 196.4
[M+NH4]+ 390.33262 217.4
[M+K]+ 411.26196 196.4
[M+H-H2O]+ 355.29606 190.2
[M+HCOO]- 417.29700 224.7
[M+CH3COO]- 431.31265 225.5
[M+Na-2H]- 393.27347 196.7
[M]+ 372.29825 206.6
[M]- 372.29935 206.6
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