CID 136503682

881664-83-1

Structural Information

Molecular Formula
C27H43N3O
SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C1=CNC2=CC=CC=C21
InChI
InChI=1S/C27H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(31)30-29-23-24-22-28-26-20-18-17-19-25(24)26/h17-20,22-23,28H,2-16,21H2,1H3,(H,30,31)/b29-23+
InChIKey
XLMAAZISBMXZOZ-BYNJWEBRSA-N
Compound name
N-[(E)-1H-indol-3-ylmethylideneamino]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.3406 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.347876 213.3
[M+Na]+ 448.329818 214.4
[M-H]- 424.333324 213.8
[M+NH4]+ 443.374423 224.1
[M+K]+ 464.303758 207.1
[M+H-H2O]+ 408.337860 202.9
[M+HCOO]- 470.338801 234.1
[M+CH3COO]- 484.354451 235.6
[M+Na-2H]- 446.315266 212.6
[M]+ 425.34005142 219.0
[M]- 425.34114858 219.0
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

No patent data available for this compound.