CID 15956132

Chembl437137

Structural Information

Molecular Formula
C15H16Cl2N4O
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC(=CC(=N2)Cl)N)Cl)C
InChI
InChI=1S/C15H16Cl2N4O/c1-9(2)5-6-22-12-7-10(3-4-11(12)16)19-15-20-13(17)8-14(18)21-15/h3-5,7-8H,6H2,1-2H3,(H3,18,19,20,21)
InChIKey
WXKWODADILIFBG-UHFFFAOYSA-N
Compound name
6-chloro-2-N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.07013 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07741 177.0
[M+Na]+ 361.05935 186.1
[M-H]- 337.06285 180.1
[M+NH4]+ 356.10395 188.9
[M+K]+ 377.03329 178.9
[M+H-H2O]+ 321.06739 168.8
[M+HCOO]- 383.06833 189.4
[M+CH3COO]- 397.08398 213.6
[M+Na-2H]- 359.04480 179.0
[M]+ 338.06958 180.0
[M]- 338.07068 180.0
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.