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]+ 426.34788 213.3
[M+Na]+ 448.32982 214.4
[M-H]- 424.33332 213.8
[M+NH4]+ 443.37442 224.1
[M+K]+ 464.30376 207.1
[M+H-H2O]+ 408.33786 202.9
[M+HCOO]- 470.33880 234.1
[M+CH3COO]- 484.35445 235.6
[M+Na-2H]- 446.31527 212.6
[M]+ 425.34005 219.0
[M]- 425.34115 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.