CID 15956120

Chembl202268

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC(=CCOC1=CC=CC(=C1)NC2=NC=CC=N2)C
InChI
InChI=1S/C15H17N3O/c1-12(2)7-10-19-14-6-3-5-13(11-14)18-15-16-8-4-9-17-15/h3-9,11H,10H2,1-2H3,(H,16,17,18)
InChIKey
RCSJNTCUFSNHFH-UHFFFAOYSA-N
Compound name
N-[3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

255.13716 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.9
[M+Na]+ 278.12638 166.2
[M-H]- 254.12988 163.5
[M+NH4]+ 273.17098 173.5
[M+K]+ 294.10032 161.9
[M+H-H2O]+ 238.13442 150.2
[M+HCOO]- 300.13536 181.7
[M+CH3COO]- 314.15101 197.7
[M+Na-2H]- 276.11183 166.2
[M]+ 255.13661 160.0
[M]- 255.13771 160.0
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

patents stripe