CID 2216

Apraclonidine

Structural Information

Molecular Formula
C9H10Cl2N4
SMILES
C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl
InChI
InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
InChIKey
IEJXVRYNEISIKR-UHFFFAOYSA-N
Compound name
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

491
References

10978
Patents

244.02826 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03554 149.5
[M+Na]+ 267.01748 162.0
[M+NH4]+ 262.06208 157.6
[M+K]+ 282.99142 156.8
[M-H]- 243.02098 152.6
[M+Na-2H]- 265.00293 156.4
[M]+ 244.02771 152.5
[M]- 244.02881 152.5
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

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