CID 16217419

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

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]+ 261.138626 166.6
[M+Na]+ 283.120568 177.9
[M-H]- 259.124074 171.1
[M+NH4]+ 278.165173 182.6
[M+K]+ 299.094508 169.3
[M+H-H2O]+ 243.128610 151.6
[M+HCOO]- 305.129551 185.3
[M+CH3COO]- 319.145201 177.1
[M+Na-2H]- 281.106016 169.9
[M]+ 260.13080142 162.9
[M]- 260.13189858 162.9
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.