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]+ 251.154276 157.7
[M+Na]+ 273.136218 166.1
[M-H]- 249.139724 164.5
[M+NH4]+ 268.180823 176.2
[M+K]+ 289.110158 160.9
[M+H-H2O]+ 233.144260 149.6
[M+HCOO]- 295.145201 181.8
[M+CH3COO]- 309.160851 170.4
[M+Na-2H]- 271.121666 163.4
[M]+ 250.14645142 158.8
[M]- 250.14754858 158.8
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.