CID 40886

Indole, 3-(2-amino-3-ethylaminopropyl)-, (s)-

Structural Information

Molecular Formula
C13H19N3
SMILES
CCNC[C@H](CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C13H19N3/c1-2-15-9-11(14)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,11,15-16H,2,7,9,14H2,1H3/t11-/m0/s1
InChIKey
BIGWWNUYZKXPRP-NSHDSACASA-N
Compound name
(2S)-1-N-ethyl-3-(1H-indol-3-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 149.3
[M+Na]+ 240.147118 155.9
[M-H]- 216.150624 150.7
[M+NH4]+ 235.191723 168.0
[M+K]+ 256.121058 151.2
[M+H-H2O]+ 200.155160 142.1
[M+HCOO]- 262.156101 172.3
[M+CH3COO]- 276.171751 191.8
[M+Na-2H]- 238.132566 154.6
[M]+ 217.15735142 147.6
[M]- 217.15844858 147.6
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.