CID 10625101

Tricosanoic acid tryptamide

Structural Information

Molecular Formula
C33H56N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-27-30-29-35-32-25-23-22-24-31(30)32/h22-25,29,35H,2-21,26-28H2,1H3,(H,34,36)
InChIKey
XJUYJAIYKWBPLY-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

496.43927 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.44655 237.6
[M+Na]+ 519.42849 236.1
[M-H]- 495.43199 235.4
[M+NH4]+ 514.47309 245.0
[M+K]+ 535.40243 227.1
[M+H-H2O]+ 479.43653 226.7
[M+HCOO]- 541.43747 253.4
[M+CH3COO]- 555.45312 246.9
[M+Na-2H]- 517.41394 232.7
[M]+ 496.43872 245.0
[M]- 496.43982 245.0
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