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
1
Annotation Hits

0
References

12
Patents

246.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12297 161.0
[M+Na]+ 269.10491 173.1
[M-H]- 245.10841 165.7
[M+NH4]+ 264.14951 177.7
[M+K]+ 285.07885 164.3
[M+H-H2O]+ 229.11295 146.2
[M+HCOO]- 291.11389 181.0
[M+CH3COO]- 305.12954 172.2
[M+Na-2H]- 267.09036 166.1
[M]+ 246.11514 157.6
[M]- 246.11624 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