CID 215417

4-piperidinamine, 1-(2-(2-methyl-1h-indol-3-yl)ethyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C16H23N3
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCC(CC3)N
InChI
InChI=1S/C16H23N3/c1-12-14(15-4-2-3-5-16(15)18-12)8-11-19-9-6-13(17)7-10-19/h2-5,13,18H,6-11,17H2,1H3
InChIKey
YSQNFSCMLLGMGZ-UHFFFAOYSA-N
Compound name
1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.1892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 161.8
[M+Na]+ 280.178418 168.4
[M-H]- 256.181924 164.6
[M+NH4]+ 275.223023 177.8
[M+K]+ 296.152358 162.2
[M+H-H2O]+ 240.186460 153.2
[M+HCOO]- 302.187401 179.5
[M+CH3COO]- 316.203051 172.0
[M+Na-2H]- 278.163866 164.0
[M]+ 257.18865142 157.0
[M]- 257.18974858 157.0
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