CID 16074543

Chembl218516

Structural Information

Molecular Formula
C15H16Cl2N4O
SMILES
CC1=NC(=NC(=N1)Cl)NC2=CC(=C(C=C2)Cl)OCC=C(C)C
InChI
InChI=1S/C15H16Cl2N4O/c1-9(2)6-7-22-13-8-11(4-5-12(13)16)20-15-19-10(3)18-14(17)21-15/h4-6,8H,7H2,1-3H3,(H,18,19,20,21)
InChIKey
FTYROGMPNRXYOD-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-6-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.07013 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07741 175.5
[M+Na]+ 361.05935 185.4
[M-H]- 337.06285 177.6
[M+NH4]+ 356.10395 186.5
[M+K]+ 377.03329 178.3
[M+H-H2O]+ 321.06739 166.3
[M+HCOO]- 383.06833 185.9
[M+CH3COO]- 397.08398 211.9
[M+Na-2H]- 359.04480 178.2
[M]+ 338.06958 180.3
[M]- 338.07068 180.3
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.