CID 15956121

Chembl202269

Structural Information

Molecular Formula
C16H19N3O
SMILES
CC1=C(C=C(C=C1)NC2=NC=CC=N2)OCC=C(C)C
InChI
InChI=1S/C16H19N3O/c1-12(2)7-10-20-15-11-14(6-5-13(15)3)19-16-17-8-4-9-18-16/h4-9,11H,10H2,1-3H3,(H,17,18,19)
InChIKey
ZOEOEBWQCRVFRE-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

269.1528 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 164.7
[M+Na]+ 292.14202 171.5
[M-H]- 268.14552 168.5
[M+NH4]+ 287.18662 178.1
[M+K]+ 308.11596 167.0
[M+H-H2O]+ 252.15006 155.1
[M+HCOO]- 314.15100 186.2
[M+CH3COO]- 328.16665 201.9
[M+Na-2H]- 290.12747 169.6
[M]+ 269.15225 165.6
[M]- 269.15335 165.6
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