CID 22352642

N,n'-(butane-1,4-diyl)dioctadecanamide

Structural Information

Molecular Formula
C40H80N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39(43)41-37-33-34-38-42-40(44)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3,(H,41,43)(H,42,44)
InChIKey
LCZJLVYYBRTSAQ-UHFFFAOYSA-N
Compound name
N-[4-(octadecanoylamino)butyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

375
Patents

620.622 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.62928 283.7
[M+Na]+ 643.61122 291.3
[M-H]- 619.61472 269.2
[M+NH4]+ 638.65582 281.8
[M+K]+ 659.58516 292.2
[M+H-H2O]+ 603.61926 281.0
[M+HCOO]- 665.62020 283.4
[M+CH3COO]- 679.63585 278.9
[M+Na-2H]- 641.59667 264.8
[M]+ 620.62145 278.7
[M]- 620.62255 278.7
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