CID 16074545

Chembl218517

Structural Information

Molecular Formula
C16H19ClN4O2
SMILES
CC1=NC(=NC(=N1)OC)NC2=CC(=C(C=C2)Cl)OCC=C(C)C
InChI
InChI=1S/C16H19ClN4O2/c1-10(2)7-8-23-14-9-12(5-6-13(14)17)20-15-18-11(3)19-16(21-15)22-4/h5-7,9H,8H2,1-4H3,(H,18,19,20,21)
InChIKey
FSFONHRWEPQSEG-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methoxy-6-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.11966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12694 178.1
[M+Na]+ 357.10888 187.3
[M-H]- 333.11238 181.0
[M+NH4]+ 352.15348 188.8
[M+K]+ 373.08282 181.6
[M+H-H2O]+ 317.11692 168.3
[M+HCOO]- 379.11786 193.7
[M+CH3COO]- 393.13351 212.8
[M+Na-2H]- 355.09433 181.2
[M]+ 334.11911 183.7
[M]- 334.12021 183.7
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.