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 159.7
[M+Na]+ 268.17842 165.5
[M-H]- 244.18192 162.2
[M+NH4]+ 263.22302 177.9
[M+K]+ 284.15236 161.8
[M+H-H2O]+ 228.18646 152.0
[M+HCOO]- 290.18740 182.5
[M+CH3COO]- 304.20305 201.1
[M+Na-2H]- 266.16387 163.1
[M]+ 245.18865 159.9
[M]- 245.18975 159.9
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.