CID 319387

Nsc263527

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCOC(=O)CN1CCC(CC1)C(C2=CC3=CC=CC=C3N2)O
InChI
InChI=1S/C18H24N2O3/c1-2-23-17(21)12-20-9-7-13(8-10-20)18(22)16-11-14-5-3-4-6-15(14)19-16/h3-6,11,13,18-19,22H,2,7-10,12H2,1H3
InChIKey
JLVVRJBGJGSXHC-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[hydroxy(1H-indol-2-yl)methyl]piperidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 175.8
[M+Na]+ 339.16790 180.1
[M-H]- 315.17140 177.2
[M+NH4]+ 334.21250 188.5
[M+K]+ 355.14184 175.4
[M+H-H2O]+ 299.17594 167.1
[M+HCOO]- 361.17688 189.5
[M+CH3COO]- 375.19253 201.4
[M+Na-2H]- 337.15335 175.5
[M]+ 316.17813 173.3
[M]- 316.17923 173.3
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

No patent data available for this compound.