CID 40197

52019-01-9

Structural Information

Molecular Formula
C18H20N2
SMILES
CCC(CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)N
InChI
InChI=1S/C18H20N2/c1-2-14(19)12-16-15-10-6-7-11-17(15)20-18(16)13-8-4-3-5-9-13/h3-11,14,20H,2,12,19H2,1H3
InChIKey
BHXRHKZGRHBZRN-UHFFFAOYSA-N
Compound name
1-(2-phenyl-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 162.7
[M+Na]+ 287.151878 170.3
[M-H]- 263.155384 167.5
[M+NH4]+ 282.196483 179.7
[M+K]+ 303.125818 163.7
[M+H-H2O]+ 247.159920 154.8
[M+HCOO]- 309.160861 184.4
[M+CH3COO]- 323.176511 174.1
[M+Na-2H]- 285.137326 166.5
[M]+ 264.16211142 161.4
[M]- 264.16320858 161.4
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.