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]+ 261.13863 166.6
[M+Na]+ 283.12057 177.9
[M-H]- 259.12407 171.1
[M+NH4]+ 278.16517 182.6
[M+K]+ 299.09451 169.3
[M+H-H2O]+ 243.12861 151.6
[M+HCOO]- 305.12955 185.3
[M+CH3COO]- 319.14520 177.1
[M+Na-2H]- 281.10602 169.9
[M]+ 260.13080 162.9
[M]- 260.13190 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.