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]+ 218.16518 149.3
[M+Na]+ 240.14712 155.9
[M-H]- 216.15062 150.7
[M+NH4]+ 235.19172 168.0
[M+K]+ 256.12106 151.2
[M+H-H2O]+ 200.15516 142.1
[M+HCOO]- 262.15610 172.3
[M+CH3COO]- 276.17175 191.8
[M+Na-2H]- 238.13257 154.6
[M]+ 217.15735 147.6
[M]- 217.15845 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.