CID 6422124

Ciproxifan

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1CC1C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3
InChI
InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
InChIKey
ACQBHJXEAYTHCY-UHFFFAOYSA-N
Compound name
cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

154
References

1644
Patents

270.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 166.5
[M+Na]+ 293.12606 179.8
[M+NH4]+ 288.17066 174.1
[M+K]+ 309.10000 176.0
[M-H]- 269.12956 176.2
[M+Na-2H]- 291.11151 176.0
[M]+ 270.13629 172.1
[M]- 270.13739 172.1
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