CID 170510

41450-77-5

Structural Information

Molecular Formula
C18H14N2O
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCC#N)C=O
InChI
InChI=1S/C18H14N2O/c19-11-6-12-20-17-10-5-4-9-15(17)16(13-21)18(20)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2
InChIKey
SUPYBCMCZGDUBS-UHFFFAOYSA-N
Compound name
3-(3-formyl-2-phenylindol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

274.11063 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11791 166.3
[M+Na]+ 297.09985 181.4
[M+NH4]+ 292.14445 171.6
[M+K]+ 313.07379 170.7
[M-H]- 273.10335 163.2
[M+Na-2H]- 295.08530 172.0
[M]+ 274.11008 166.9
[M]- 274.11118 166.9
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

patents stripe