CID 44146389

N,n'-(iminodiethylene)bis(isononan-1-amide)

Structural Information

Molecular Formula
C22H45N3O2
SMILES
CC(C)CCCCCC(=O)NCCNCCNC(=O)CCCCCC(C)C
InChI
InChI=1S/C22H45N3O2/c1-19(2)11-7-5-9-13-21(26)24-17-15-23-16-18-25-22(27)14-10-6-8-12-20(3)4/h19-20,23H,5-18H2,1-4H3,(H,24,26)(H,25,27)
InChIKey
JJWSAGSKOWJSRH-UHFFFAOYSA-N
Compound name
7-methyl-N-[2-[2-(7-methyloctanoylamino)ethylamino]ethyl]octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

383.35117 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.35845 208.2
[M+Na]+ 406.34039 205.8
[M-H]- 382.34389 205.6
[M+NH4]+ 401.38499 227.9
[M+K]+ 422.31433 203.5
[M+H-H2O]+ 366.34843 199.4
[M+HCOO]- 428.34937 226.9
[M+CH3COO]- 442.36502 234.2
[M+Na-2H]- 404.32584 202.5
[M]+ 383.35062 211.6
[M]- 383.35172 211.6
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