CID 408187

20285-55-6

Structural Information

Molecular Formula
C11H13Cl2N5
SMILES
CC1(N=C(N=C(N1C2=C(C=C(C=C2)Cl)Cl)N)N)C
InChI
InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)8-4-3-6(12)5-7(8)13/h3-5H,1-2H3,(H4,14,15,16,17)
InChIKey
FXQMBDQAHVBITF-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

285.0548 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06208 161.7
[M+Na]+ 308.04402 173.4
[M-H]- 284.04752 163.7
[M+NH4]+ 303.08862 176.4
[M+K]+ 324.01796 166.7
[M+H-H2O]+ 268.05206 154.3
[M+HCOO]- 330.05300 172.6
[M+CH3COO]- 344.06865 172.7
[M+Na-2H]- 306.02947 165.4
[M]+ 285.05425 161.7
[M]- 285.05535 161.8
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

No patent data available for this compound.