CID 3051505

67466-14-2

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]+ 246.17133 160.9
[M+Na]+ 268.15327 170.3
[M-H]- 244.15677 161.0
[M+NH4]+ 263.19787 175.2
[M+K]+ 284.12721 165.1
[M+H-H2O]+ 228.16131 152.1
[M+HCOO]- 290.16225 180.8
[M+CH3COO]- 304.17790 202.3
[M+Na-2H]- 266.13872 166.1
[M]+ 245.16350 160.7
[M]- 245.16460 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