CID 36354

Alinidine

Structural Information

Molecular Formula
C12H13Cl2N3
SMILES
C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2
InChI
InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
InChIKey
OXTYVEUAQHPPMV-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

158
References

639
Patents

269.04865 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05593 158.5
[M+Na]+ 292.03787 171.9
[M+NH4]+ 287.08247 166.7
[M+K]+ 308.01181 165.4
[M-H]- 268.04137 161.4
[M+Na-2H]- 290.02332 165.6
[M]+ 269.04810 161.6
[M]- 269.04920 161.6
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