CID 470510

Chembl124589

Structural Information

Molecular Formula
C15H13ClN4
SMILES
C1=CC=C2C=C(C=CC2=C1)CNC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C15H13ClN4/c16-13-8-14(17)20-15(19-13)18-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H3,17,18,19,20)
InChIKey
JNKDRWSECNAOEB-UHFFFAOYSA-N
Compound name
6-chloro-2-N-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0829 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09018 163.2
[M+Na]+ 307.07212 172.8
[M-H]- 283.07562 167.7
[M+NH4]+ 302.11672 177.4
[M+K]+ 323.04606 165.3
[M+H-H2O]+ 267.08016 154.2
[M+HCOO]- 329.08110 181.1
[M+CH3COO]- 343.09675 174.4
[M+Na-2H]- 305.05757 171.4
[M]+ 284.08235 163.5
[M]- 284.08345 163.5
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.