CID 40851

Indole, 3-(2-amino-3-(diethylamino)propyl)-, (s)-

Structural Information

Molecular Formula
C15H23N3
SMILES
CCN(CC)C[C@H](CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C15H23N3/c1-3-18(4-2)11-13(16)9-12-10-17-15-8-6-5-7-14(12)15/h5-8,10,13,17H,3-4,9,11,16H2,1-2H3/t13-/m0/s1
InChIKey
STQYXFVESIUFSC-ZDUSSCGKSA-N
Compound name
(2S)-1-N,1-N-diethyl-3-(1H-indol-3-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.19648 159.2
[M+Na]+ 268.17842 169.3
[M+NH4]+ 263.22302 167.2
[M+K]+ 284.15236 164.5
[M-H]- 244.18192 161.9
[M+Na-2H]- 266.16387 164.4
[M]+ 245.18865 161.1
[M]- 245.18975 161.1
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.