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

74
Patents

357.26678 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.274056 194.8
[M+Na]+ 380.255998 200.1
[M-H]- 356.259504 196.6
[M+NH4]+ 375.300603 209.5
[M+K]+ 396.229938 194.8
[M+H-H2O]+ 340.264040 186.1
[M+HCOO]- 402.264981 214.8
[M+CH3COO]- 416.280631 218.4
[M+Na-2H]- 378.241446 194.2
[M]+ 357.26623142 203.2
[M]- 357.26732858 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