CID 112355

69943-71-1

Structural Information

Molecular Formula
C28H59N3O
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)CCCN(C)C
InChI
InChI=1S/C28H59N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(32)31(26-21-24-29(2)3)27-22-25-30(4)5/h6-27H2,1-5H3
InChIKey
UTTJYVYNYMJGGT-UHFFFAOYSA-N
Compound name
N,N-bis[3-(dimethylamino)propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

453.46582 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.47310 234.1
[M+Na]+ 476.45504 267.3
[M-H]- 452.45854 247.8
[M+NH4]+ 471.49964 259.2
[M+K]+ 492.42898 228.8
[M+H-H2O]+ 436.46308 223.6
[M+HCOO]- 498.46402 254.5
[M+CH3COO]- 512.47967 258.6
[M+Na-2H]- 474.44049 226.6
[M]+ 453.46527 250.5
[M]- 453.46637 250.5
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

patents stripe