CID 15956133

Chembl382913

Structural Information

Molecular Formula
C16H19ClN4O2
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC(=CC(=N2)OC)N)Cl)C
InChI
InChI=1S/C16H19ClN4O2/c1-10(2)6-7-23-13-8-11(4-5-12(13)17)19-16-20-14(18)9-15(21-16)22-3/h4-6,8-9H,7H2,1-3H3,(H3,18,19,20,21)
InChIKey
OONOQWVUQKSADO-UHFFFAOYSA-N
Compound name
2-N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-6-methoxypyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.11966 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12694 178.7
[M+Na]+ 357.10888 187.0
[M-H]- 333.11238 182.6
[M+NH4]+ 352.15348 190.2
[M+K]+ 373.08282 181.3
[M+H-H2O]+ 317.11692 169.6
[M+HCOO]- 379.11786 196.2
[M+CH3COO]- 393.13351 214.7
[M+Na-2H]- 355.09433 181.1
[M]+ 334.11911 182.3
[M]- 334.12021 182.3
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.