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

10974
Patents

244.02826 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.035536 152.2
[M+Na]+ 267.017478 161.6
[M-H]- 243.020984 154.1
[M+NH4]+ 262.062083 168.8
[M+K]+ 282.991418 154.6
[M+H-H2O]+ 227.025520 145.2
[M+HCOO]- 289.026461 164.9
[M+CH3COO]- 303.042111 163.4
[M+Na-2H]- 265.002926 155.0
[M]+ 244.02771142 149.7
[M]- 244.02880858 149.7
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