CID 23274327

N4,n4-dipropyl-1-oxy-pyrimidine-2,4,6-triamine

Structural Information

Molecular Formula

C₁₀H₁₉N₅O

SMILES

CCCN(CCC)C1=NC(=N)N(C(=C1)N)O

InChI

InChI=1S/C10H19N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h7,12,16H,3-6,11H2,1-2H3

InChIKey

YXNLVJOPSBFTLN-UHFFFAOYSA-N

Compound name

1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 225.15897 Da
Monoisotopic Mass: 2.2
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]+	226.166246	152.8
[M+Na]+	248.148188	160.1
[M-H]-	224.151694	153.9
[M+NH4]+	243.192793	167.8
[M+K]+	264.122128	157.6
[M+H-H2O]+	208.156230	144.6
[M+HCOO]-	270.157171	176.3
[M+CH3COO]-	284.172821	199.9
[M+Na-2H]-	246.133636	157.1
[M]+	225.15842142	152.1
[M]-	225.15951858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe