CID 3025151

Or-1550

Structural Information

Molecular Formula

C₁₄H₂₆N₄O

SMILES

CCCCN(CCCC)CCOC1=NC(=NC=C1)N

InChI

InChI=1S/C14H26N4O/c1-3-5-9-18(10-6-4-2)11-12-19-13-7-8-16-14(15)17-13/h7-8H,3-6,9-12H2,1-2H3,(H2,15,16,17)

InChIKey

QOKOFSWPBFMPCP-UHFFFAOYSA-N

Compound name

4-[2-(dibutylamino)ethoxy]pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 266.21066 Da
Monoisotopic Mass: 2.7
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]+	267.21794	166.5
[M+Na]+	289.19988	171.1
[M-H]-	265.20338	167.3
[M+NH4]+	284.24448	180.3
[M+K]+	305.17382	169.0
[M+H-H2O]+	249.20792	156.9
[M+HCOO]-	311.20886	188.9
[M+CH3COO]-	325.22451	207.5
[M+Na-2H]-	287.18533	170.4
[M]+	266.21011	169.8
[M]-	266.21121	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe