CID 16074544

Chembl385814

Structural Information

Molecular Formula
C15H16Cl2N4O2
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC(=NC(=N2)Cl)OC)Cl)C
InChI
InChI=1S/C15H16Cl2N4O2/c1-9(2)6-7-23-12-8-10(4-5-11(12)16)18-14-19-13(17)20-15(21-14)22-3/h4-6,8H,7H2,1-3H3,(H,18,19,20,21)
InChIKey
PMWXZVBTTNNLNX-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.06503 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07231 177.7
[M+Na]+ 377.05425 187.4
[M-H]- 353.05775 179.9
[M+NH4]+ 372.09885 187.9
[M+K]+ 393.02819 181.0
[M+H-H2O]+ 337.06229 168.4
[M+HCOO]- 399.06323 188.4
[M+CH3COO]- 413.07888 213.9
[M+Na-2H]- 375.03970 180.5
[M]+ 354.06448 183.9
[M]- 354.06558 183.9
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.