CID 162345034

Ns00132994

Structural Information

Molecular Formula
C9H10Cl2N4
SMILES
C1CN(C(=N1)NCl)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H10Cl2N4/c10-8-2-1-7(5-13-8)6-15-4-3-12-9(15)14-11/h1-2,5H,3-4,6H2,(H,12,14)
InChIKey
AZZSVFQPQWRHJE-UHFFFAOYSA-N
Compound name
N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02826 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.035536 151.0
[M+Na]+ 267.017478 160.5
[M-H]- 243.020984 152.7
[M+NH4]+ 262.062083 167.0
[M+K]+ 282.991418 154.7
[M+H-H2O]+ 227.025520 142.1
[M+HCOO]- 289.026461 163.1
[M+CH3COO]- 303.042111 162.4
[M+Na-2H]- 265.002926 155.3
[M]+ 244.02771142 151.7
[M]- 244.02880858 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.