CID 462113

Chembl23374

Structural Information

Molecular Formula
C20H19N5
SMILES
CC1=C2C(=NC(=NC2=NC=C1CCC3=CC=CC4=CC=CC=C43)N)N
InChI
InChI=1S/C20H19N5/c1-12-15(11-23-19-17(12)18(21)24-20(22)25-19)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,11H,9-10H2,1H3,(H4,21,22,23,24,25)
InChIKey
JWXPTVVVLVRJEZ-UHFFFAOYSA-N
Compound name
5-methyl-6-(2-naphthalen-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.16403 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17131 181.8
[M+Na]+ 352.15325 192.5
[M-H]- 328.15675 186.2
[M+NH4]+ 347.19785 193.0
[M+K]+ 368.12719 184.0
[M+H-H2O]+ 312.16129 170.7
[M+HCOO]- 374.16223 201.5
[M+CH3COO]- 388.17788 191.8
[M+Na-2H]- 350.13870 189.5
[M]+ 329.16348 182.0
[M]- 329.16458 182.0
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.