CID 134640

Bw 283u

Structural Information

Molecular Formula
C12H17N5
SMILES
CCC(C)C1=CN=C2C(=C1C)C(=NC(=N2)N)N
InChI
InChI=1S/C12H17N5/c1-4-6(2)8-5-15-11-9(7(8)3)10(13)16-12(14)17-11/h5-6H,4H2,1-3H3,(H4,13,14,15,16,17)
InChIKey
HKBUPBPYXKXWBQ-UHFFFAOYSA-N
Compound name
6-butan-2-yl-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

231.14839 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.155666 156.9
[M+Na]+ 254.137608 166.5
[M-H]- 230.141114 157.3
[M+NH4]+ 249.182213 171.7
[M+K]+ 270.111548 162.0
[M+H-H2O]+ 214.145650 148.5
[M+HCOO]- 276.146591 176.1
[M+CH3COO]- 290.162241 200.3
[M+Na-2H]- 252.123056 161.5
[M]+ 231.14784142 155.8
[M]- 231.14893858 155.8
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

patents stripe