CID 57920711

73956-49-7

Structural Information

Molecular Formula
C32H54N2O3
SMILES
C1=CC2=C(C=C1O)C(=CN2)CCNC(=O)CCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C32H54N2O3/c35-25-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-32(37)33-24-23-28-27-34-31-22-21-29(36)26-30(28)31/h21-22,26-27,34-36H,1-20,23-25H2,(H,33,37)
InChIKey
XWPKDSVRTTVLOJ-UHFFFAOYSA-N
Compound name
22-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

514.41345 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.42073 237.2
[M+Na]+ 537.40267 235.8
[M-H]- 513.40617 232.9
[M+NH4]+ 532.44727 242.6
[M+K]+ 553.37661 227.0
[M+H-H2O]+ 497.41071 227.1
[M+HCOO]- 559.41165 250.8
[M+CH3COO]- 573.42730 244.4
[M+Na-2H]- 535.38812 231.8
[M]+ 514.41290 243.7
[M]- 514.41400 243.7
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

patents stripe