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: 20
Patents: 231.14839 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.15567	154.0
[M+Na]+	254.13761	166.6
[M+NH4]+	249.18221	161.0
[M+K]+	270.11155	160.9
[M-H]-	230.14111	156.0
[M+Na-2H]-	252.12306	159.1
[M]+	231.14784	156.2
[M]-	231.14894	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe