CID 3051505

Brn 2982029

Structural Information

Molecular Formula
C13H19N5
SMILES
CCCCCC1=CN=C2C(=C1C)C(=NC(=N2)N)N
InChI
InChI=1S/C13H19N5/c1-3-4-5-6-9-7-16-12-10(8(9)2)11(14)17-13(15)18-12/h7H,3-6H2,1-2H3,(H4,14,15,16,17,18)
InChIKey
VSRYFZMVIDGGOT-UHFFFAOYSA-N
Compound name
5-methyl-6-pentylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.16405 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.171326 160.9
[M+Na]+ 268.153268 170.3
[M-H]- 244.156774 161.0
[M+NH4]+ 263.197873 175.2
[M+K]+ 284.127208 165.1
[M+H-H2O]+ 228.161310 152.1
[M+HCOO]- 290.162251 180.8
[M+CH3COO]- 304.177901 202.3
[M+Na-2H]- 266.138716 166.1
[M]+ 245.16350142 160.7
[M]- 245.16459858 160.7
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

patents stripe