CID 3017254

Dibehenyl methylamine

Structural Information

Molecular Formula
C45H93N
SMILES
CCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C45H93N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46(3)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-45H2,1-3H3
InChIKey
PORMVGDBMPISFU-UHFFFAOYSA-N
Compound name
N-docosyl-N-methyldocosan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

262
Patents

647.7308 Da
Monoisotopic Mass

22.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.73808 295.6
[M+Na]+ 670.72002 301.7
[M-H]- 646.72352 272.9
[M+NH4]+ 665.76462 293.1
[M+K]+ 686.69396 306.1
[M+H-H2O]+ 630.72806 293.5
[M+HCOO]- 692.72900 297.8
[M+CH3COO]- 706.74465 289.0
[M+Na-2H]- 668.70547 275.1
[M]+ 647.73025 294.6
[M]- 647.73135 294.7
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