CID 24466

Metoprine

Structural Information

Molecular Formula
C11H10Cl2N4
SMILES
CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKey
VQJHOPSWBGJHQS-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

138
References

14257
Patents

268.02826 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03554 157.2
[M+Na]+ 291.01748 173.3
[M+NH4]+ 286.06208 165.6
[M+K]+ 306.99142 165.3
[M-H]- 267.02098 161.9
[M+Na-2H]- 289.00293 165.8
[M]+ 268.02771 161.5
[M]- 268.02881 161.5
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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