CID 457353

Chembl282948

Structural Information

Molecular Formula
C19H22N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=CC4=C3CCCC4)N)N
InChI
InChI=1S/C19H22N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8,10,22H,2-3,5,7,9H2,1H3,(H4,20,21,23,24,25)
InChIKey
SVTGPTKXKFCHJW-UHFFFAOYSA-N
Compound name
5-methyl-6-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

334.19058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19786 180.4
[M+Na]+ 357.17980 187.8
[M-H]- 333.18330 183.8
[M+NH4]+ 352.22440 190.8
[M+K]+ 373.15374 180.3
[M+H-H2O]+ 317.18784 169.3
[M+HCOO]- 379.18878 197.3
[M+CH3COO]- 393.20443 188.8
[M+Na-2H]- 355.16525 186.6
[M]+ 334.19003 175.6
[M]- 334.19113 175.6
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.