CID 87373396

4,6-dichloro-n-(imidazolidin-2-ylidene)-2-methylpyrimidin-5-amine

Structural Information

Molecular Formula
C8H9Cl2N5
SMILES
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)Cl
InChI
InChI=1S/C8H9Cl2N5/c1-4-13-6(9)5(7(10)14-4)15-8-11-2-3-12-8/h2-3H2,1H3,(H2,11,12,15)
InChIKey
FRCNQZFYEPYVDZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

245.0235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03078 151.2
[M+Na]+ 268.01272 161.5
[M-H]- 244.01622 150.7
[M+NH4]+ 263.05732 165.3
[M+K]+ 283.98666 155.1
[M+H-H2O]+ 228.02076 142.2
[M+HCOO]- 290.02170 160.8
[M+CH3COO]- 304.03735 161.9
[M+Na-2H]- 265.99817 154.8
[M]+ 245.02295 150.4
[M]- 245.02405 150.4
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

patents stripe