CID 3012228

6-[(2,5-dimethylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4,5-triamine

Structural Information

Molecular Formula
C16H19N7
SMILES
CC1=CC(=C(C=C1)C)NCC2=CN=C3C(=C2N)C(=NC(=N3)N)N
InChI
InChI=1S/C16H19N7/c1-8-3-4-9(2)11(5-8)20-6-10-7-21-15-12(13(10)17)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H6,17,18,19,21,22,23)
InChIKey
GVQPIWRLIMXFEY-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1702 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17748 176.5
[M+Na]+ 332.15942 186.2
[M-H]- 308.16292 180.3
[M+NH4]+ 327.20402 187.3
[M+K]+ 348.13336 179.4
[M+H-H2O]+ 292.16746 166.5
[M+HCOO]- 354.16840 198.2
[M+CH3COO]- 368.18405 186.3
[M+Na-2H]- 330.14487 181.7
[M]+ 309.16965 173.8
[M]- 309.17075 173.8
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.