CID 25889

13344-99-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

15
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

patents stripe