CID 65761

Flutonidine

Structural Information

Molecular Formula
C10H12FN3
SMILES
CC1=C(C=C(C=C1)F)NC2=NCCN2
InChI
InChI=1S/C10H12FN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
InChIKey
UYIZEUBMWCOJFF-UHFFFAOYSA-N
Compound name
N-(5-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

120
Patents

193.10153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10881 141.6
[M+Na]+ 216.09075 152.8
[M+NH4]+ 211.13535 149.2
[M+K]+ 232.06469 148.3
[M-H]- 192.09425 143.2
[M+Na-2H]- 214.07620 148.4
[M]+ 193.10098 143.4
[M]- 193.10208 143.4
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