CID 202117

Sd 4202

Structural Information

Molecular Formula

C₁₀H₁₉N₅O

SMILES

CCN(CC)CCOC1=NC(=NC(=C1)N)N

InChI

InChI=1S/C10H19N5O/c1-3-15(4-2)5-6-16-9-7-8(11)13-10(12)14-9/h7H,3-6H2,1-2H3,(H4,11,12,13,14)

InChIKey

QTDWOMFIPLCPDL-UHFFFAOYSA-N

Compound name

6-[2-(diethylamino)ethoxy]pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 225.15897 Da
Monoisotopic Mass: 0.6
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]+	226.16625	152.6
[M+Na]+	248.14819	159.0
[M-H]-	224.15169	154.1
[M+NH4]+	243.19279	167.8
[M+K]+	264.12213	157.7
[M+H-H2O]+	208.15623	143.8
[M+HCOO]-	270.15717	176.8
[M+CH3COO]-	284.17282	201.2
[M+Na-2H]-	246.13364	157.2
[M]+	225.15842	153.1
[M]-	225.15952	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe