CID 854382

Brn 5065464

Structural Information

Molecular Formula
C15H16ClN3
SMILES
CC1=NC(=C(C(=N1)Cl)CC=C)NCC2=CC=CC=C2
InChI
InChI=1S/C15H16ClN3/c1-3-7-13-14(16)18-11(2)19-15(13)17-10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10H2,2H3,(H,17,18,19)
InChIKey
CJOZWYPAQFUNMT-UHFFFAOYSA-N
Compound name
N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

273.10327 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.110546 163.2
[M+Na]+ 296.092488 172.4
[M-H]- 272.095994 167.0
[M+NH4]+ 291.137093 177.6
[M+K]+ 312.066428 165.4
[M+H-H2O]+ 256.100530 154.4
[M+HCOO]- 318.101471 181.1
[M+CH3COO]- 332.117121 201.5
[M+Na-2H]- 294.077936 168.5
[M]+ 273.10272142 165.4
[M]- 273.10381858 165.4
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.