CID 29753

19716-84-8

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCCCCCC(=O)OC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C17H24N2O2/c1-2-3-4-5-6-17(20)21-14-7-8-16-15(11-14)13(9-10-18)12-19-16/h7-8,11-12,19H,2-6,9-10,18H2,1H3
InChIKey
MXZRUQNXSANXGF-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 170.4
[M+Na]+ 311.17300 180.7
[M+NH4]+ 306.21760 176.9
[M+K]+ 327.14694 175.6
[M-H]- 287.17650 171.2
[M+Na-2H]- 309.15845 173.8
[M]+ 288.18323 171.8
[M]- 288.18433 171.8
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