CID 90434

24263-92-1

Structural Information

Molecular Formula
C23H35NO2
SMILES
CCCCCCCCCCCCCC(=O)OC1=CN(C2=CC=CC=C21)C
InChI
InChI=1S/C23H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25)26-22-19-24(2)21-17-15-14-16-20(21)22/h14-17,19H,3-13,18H2,1-2H3
InChIKey
OOKWHTKWDDXSKE-UHFFFAOYSA-N
Compound name
(1-methylindol-3-yl) tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

357.26678 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27406 193.0
[M+Na]+ 380.25600 204.3
[M+NH4]+ 375.30060 199.6
[M+K]+ 396.22994 196.7
[M-H]- 356.25950 194.1
[M+Na-2H]- 378.24145 196.2
[M]+ 357.26623 194.9
[M]- 357.26733 194.9
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