CID 16074546

Chembl374137

Structural Information

Molecular Formula
C16H19ClN4O3
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC(=NC(=N2)OC)OC)Cl)C
InChI
InChI=1S/C16H19ClN4O3/c1-10(2)7-8-24-13-9-11(5-6-12(13)17)18-14-19-15(22-3)21-16(20-14)23-4/h5-7,9H,8H2,1-4H3,(H,18,19,20,21)
InChIKey
SVWLGVSAICXLEE-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.11456 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12184 180.4
[M+Na]+ 373.10378 189.4
[M-H]- 349.10728 183.4
[M+NH4]+ 368.14838 190.3
[M+K]+ 389.07772 184.4
[M+H-H2O]+ 333.11182 170.4
[M+HCOO]- 395.11276 196.2
[M+CH3COO]- 409.12841 214.9
[M+Na-2H]- 371.08923 183.6
[M]+ 350.11401 187.4
[M]- 350.11511 187.4
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.