CID 43523

Fenapanil

Structural Information

Molecular Formula
C16H19N3
SMILES
CCCCC(CN1C=CN=C1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C16H19N3/c1-2-3-9-16(12-17,13-19-11-10-18-14-19)15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,13H2,1H3
InChIKey
OQOULEWDDRNBSG-UHFFFAOYSA-N
Compound name
2-(imidazol-1-ylmethyl)-2-phenylhexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7325
Patents

253.1579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 163.5
[M+Na]+ 276.14712 175.3
[M+NH4]+ 271.19172 167.7
[M+K]+ 292.12106 166.2
[M-H]- 252.15062 158.4
[M+Na-2H]- 274.13257 168.5
[M]+ 253.15735 163.0
[M]- 253.15845 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe