CID 479282

Chembl34337

Structural Information

Molecular Formula
C16H18N6
SMILES
CN(CCC1=CC=CC=C1)C2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C16H18N6/c1-22(8-7-11-5-3-2-4-6-11)12-9-13-14(17)20-16(18)21-15(13)19-10-12/h2-6,9-10H,7-8H2,1H3,(H4,17,18,19,20,21)
InChIKey
ARGXZZXHGXCFHD-UHFFFAOYSA-N
Compound name
6-N-methyl-6-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.1593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16658 169.5
[M+Na]+ 317.14852 177.1
[M-H]- 293.15202 173.8
[M+NH4]+ 312.19312 181.0
[M+K]+ 333.12246 171.8
[M+H-H2O]+ 277.15656 158.6
[M+HCOO]- 339.15750 191.2
[M+CH3COO]- 353.17315 179.6
[M+Na-2H]- 315.13397 176.8
[M]+ 294.15875 168.1
[M]- 294.15985 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.