CID 16217419

(r)-3-(1-methyl-1h-indol-3-yl)-3-phenylpropanenitrile

Structural Information

Molecular Formula
C18H16N2
SMILES
CN1C=C(C2=CC=CC=C21)[C@H](CC#N)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2/c1-20-13-17(16-9-5-6-10-18(16)20)15(11-12-19)14-7-3-2-4-8-14/h2-10,13,15H,11H2,1H3/t15-/m1/s1
InChIKey
FHQTYDOFVFKUSD-OAHLLOKOSA-N
Compound name
(3R)-3-(1-methylindol-3-yl)-3-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 164.0
[M+Na]+ 283.12057 179.0
[M+NH4]+ 278.16517 170.0
[M+K]+ 299.09451 168.4
[M-H]- 259.12407 161.4
[M+Na-2H]- 281.10602 170.2
[M]+ 260.13080 164.8
[M]- 260.13190 164.8
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.