CID 714712

3-(diallylaminomethyl)-indole

Structural Information

Molecular Formula
C15H18N2
SMILES
C=CCN(CC=C)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C15H18N2/c1-3-9-17(10-4-2)12-13-11-16-15-8-6-5-7-14(13)15/h3-8,11,16H,1-2,9-10,12H2
InChIKey
QCAGDBAHYRSLLN-UHFFFAOYSA-N
Compound name
N-(1H-indol-3-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

226.147 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 153.3
[M+Na]+ 249.136218 160.9
[M-H]- 225.139724 156.3
[M+NH4]+ 244.180823 172.8
[M+K]+ 265.110158 155.8
[M+H-H2O]+ 209.144260 146.0
[M+HCOO]- 271.145201 177.1
[M+CH3COO]- 285.160851 194.2
[M+Na-2H]- 247.121666 158.4
[M]+ 226.14645142 154.5
[M]- 226.14754858 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe