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]+ 265.16994 163.5
[M+Na]+ 287.15188 177.6
[M+NH4]+ 282.19648 172.6
[M+K]+ 303.12582 170.8
[M-H]- 263.15538 168.6
[M+Na-2H]- 285.13733 171.9
[M]+ 264.16211 167.0
[M]- 264.16321 167.0
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.