CID 23279

5-dimethylamino-3-benzylindole

Structural Information

Molecular Formula
C17H18N2
SMILES
CN(C)C1=CC2=C(C=C1)NC=C2CC3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-19(2)15-8-9-17-16(11-15)14(12-18-17)10-13-6-4-3-5-7-13/h3-9,11-12,18H,10H2,1-2H3
InChIKey
RLYARKBEYUZITQ-UHFFFAOYSA-N
Compound name
3-benzyl-N,N-dimethyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 158.3
[M+Na]+ 273.13622 173.5
[M+NH4]+ 268.18082 168.1
[M+K]+ 289.11016 166.4
[M-H]- 249.13972 164.1
[M+Na-2H]- 271.12167 168.1
[M]+ 250.14645 162.3
[M]- 250.14755 162.3
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.