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

7872
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 162.9
[M+Na]+ 276.14712 170.9
[M-H]- 252.15062 164.5
[M+NH4]+ 271.19172 176.5
[M+K]+ 292.12106 165.3
[M+H-H2O]+ 236.15516 146.8
[M+HCOO]- 298.15610 179.3
[M+CH3COO]- 312.17175 205.7
[M+Na-2H]- 274.13257 167.0
[M]+ 253.15735 158.2
[M]- 253.15845 158.2
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