CID 4106142

N,n-dioctadecylaniline

Structural Information

Molecular Formula
C42H79N
SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C42H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3
InChIKey
JDEDKRLRGDEWKM-UHFFFAOYSA-N
Compound name
N,N-dioctadecylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

597.6213 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.62858 273.5
[M+Na]+ 620.61052 265.9
[M-H]- 596.61402 271.3
[M+NH4]+ 615.65512 263.6
[M+K]+ 636.58446 257.0
[M+H-H2O]+ 580.61856 260.6
[M+HCOO]- 642.61950 274.7
[M+CH3COO]- 656.63515 276.4
[M+Na-2H]- 618.59597 263.4
[M]+ 597.62075 285.6
[M]- 597.62185 285.6
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