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
7
Annotation Hits

158
References

678
Patents

269.04865 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.055926 160.4
[M+Na]+ 292.037868 168.8
[M-H]- 268.041374 163.3
[M+NH4]+ 287.082473 176.7
[M+K]+ 308.011808 162.1
[M+H-H2O]+ 252.045910 152.4
[M+HCOO]- 314.046851 172.3
[M+CH3COO]- 328.062501 196.3
[M+Na-2H]- 290.023316 162.1
[M]+ 269.04810142 160.6
[M]- 269.04919858 160.6
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