CID 88312

19931-87-4

Structural Information

Molecular Formula
C17H14N2
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CCC#N
InChI
InChI=1S/C17H14N2/c18-11-6-12-19-16-10-5-4-9-15(16)13-17(19)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2
InChIKey
DOMRPZRFDJPHCC-UHFFFAOYSA-N
Compound name
3-(2-phenylindol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

246.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.122966 161.0
[M+Na]+ 269.104908 173.1
[M-H]- 245.108414 165.7
[M+NH4]+ 264.149513 177.7
[M+K]+ 285.078848 164.3
[M+H-H2O]+ 229.112950 146.2
[M+HCOO]- 291.113891 181.0
[M+CH3COO]- 305.129541 172.2
[M+Na-2H]- 267.090356 166.1
[M]+ 246.11514142 157.6
[M]- 246.11623858 157.6
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

patents stripe