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
5
Annotation Hits

138
References

14565
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 158.7
[M+Na]+ 291.01748 170.6
[M-H]- 267.02098 162.1
[M+NH4]+ 286.06208 173.5
[M+K]+ 306.99142 163.3
[M+H-H2O]+ 251.02552 151.6
[M+HCOO]- 313.02646 172.3
[M+CH3COO]- 327.04211 170.5
[M+Na-2H]- 289.00293 162.0
[M]+ 268.02771 159.6
[M]- 268.02881 159.6
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