CID 101428698

Cheritamine

Structural Information

Molecular Formula
C40H68N2O
SMILES
CCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C40H68N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-40(43)41-35-34-37-36-42-39-32-30-29-31-38(37)39/h5-6,29-32,36,42H,2-4,7-28,33-35H2,1H3,(H,41,43)/b6-5-
InChIKey
LXLNMBSRXCWRHE-WAYWQWQTSA-N
Compound name
(Z)-N-[2-(1H-indol-3-yl)ethyl]triacont-25-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

592.53314 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.54042 265.6
[M+Na]+ 615.52236 261.4
[M-H]- 591.52586 262.0
[M+NH4]+ 610.56696 268.9
[M+K]+ 631.49630 250.2
[M+H-H2O]+ 575.53040 253.5
[M+HCOO]- 637.53134 279.2
[M+CH3COO]- 651.54699 265.5
[M+Na-2H]- 613.50781 257.2
[M]+ 592.53259 274.5
[M]- 592.53369 274.5
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

No patent data available for this compound.