CID 470511

Chembl338556

Structural Information

Molecular Formula
C16H14ClN3
SMILES
C1=CC=C2C=C(C=CC2=C1)CCC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C16H14ClN3/c17-14-10-15(18)20-16(19-14)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9-10H,6,8H2,(H2,18,19,20)
InChIKey
ACWRWZGWPHPTKI-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-naphthalen-2-ylethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08762 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09490 164.6
[M+Na]+ 306.07684 174.5
[M-H]- 282.08034 168.9
[M+NH4]+ 301.12144 179.2
[M+K]+ 322.05078 166.8
[M+H-H2O]+ 266.08488 155.5
[M+HCOO]- 328.08582 181.1
[M+CH3COO]- 342.10147 175.8
[M+Na-2H]- 304.06229 171.5
[M]+ 283.08707 165.7
[M]- 283.08817 165.7
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.