CID 90434

1-methyl-1h-indol-3-yl myristate

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 194.8
[M+Na]+ 380.25600 200.1
[M-H]- 356.25950 196.6
[M+NH4]+ 375.30060 209.5
[M+K]+ 396.22994 194.8
[M+H-H2O]+ 340.26404 186.1
[M+HCOO]- 402.26498 214.8
[M+CH3COO]- 416.28063 218.4
[M+Na-2H]- 378.24145 194.2
[M]+ 357.26623 203.2
[M]- 357.26733 203.2
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