CID 16074541

Chembl384997

Structural Information

Molecular Formula
C14H16ClN5O
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC=NC(=N2)N)Cl)C
InChI
InChI=1S/C14H16ClN5O/c1-9(2)5-6-21-12-7-10(3-4-11(12)15)19-14-18-8-17-13(16)20-14/h3-5,7-8H,6H2,1-2H3,(H3,16,17,18,19,20)
InChIKey
ARAWBDDOUOCVQM-UHFFFAOYSA-N
Compound name
2-N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.10434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11162 170.8
[M+Na]+ 328.09356 179.2
[M-H]- 304.09706 173.1
[M+NH4]+ 323.13816 181.8
[M+K]+ 344.06750 172.9
[M+H-H2O]+ 288.10160 161.1
[M+HCOO]- 350.10254 187.3
[M+CH3COO]- 364.11819 208.1
[M+Na-2H]- 326.07901 175.1
[M]+ 305.10379 172.2
[M]- 305.10489 172.2
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.