CID 10729993

Imoproxifan

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C/C(=N\O)/C1=CC=C(C=C1)OCCCC2=CN=CN2
InChI
InChI=1S/C14H17N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-10,18H,2-3,8H2,1H3,(H,15,16)/b17-11+
InChIKey
GHADIQOLHLUYIM-GZTJUZNOSA-N
Compound name
(NE)-N-[1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1041
Patents

259.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.4
[M+Na]+ 282.12130 165.4
[M-H]- 258.12480 162.0
[M+NH4]+ 277.16590 174.0
[M+K]+ 298.09524 161.5
[M+H-H2O]+ 242.12934 150.4
[M+HCOO]- 304.13028 181.1
[M+CH3COO]- 318.14593 194.2
[M+Na-2H]- 280.10675 163.1
[M]+ 259.13153 159.5
[M]- 259.13263 159.5
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