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]+ 274.11055 163.2
[M+Na]+ 296.09249 172.4
[M-H]- 272.09599 167.0
[M+NH4]+ 291.13709 177.6
[M+K]+ 312.06643 165.4
[M+H-H2O]+ 256.10053 154.4
[M+HCOO]- 318.10147 181.1
[M+CH3COO]- 332.11712 201.5
[M+Na-2H]- 294.07794 168.5
[M]+ 273.10272 165.4
[M]- 273.10382 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.