CID 3047795

Nonapyrimine

Structural Information

Molecular Formula

C₁₅H₂₄N₄

SMILES

CCCCCCCCCNC1=NC=NC2=C1C=CN2

InChI

InChI=1S/C15H24N4/c1-2-3-4-5-6-7-8-10-16-14-13-9-11-17-15(13)19-12-18-14/h9,11-12H,2-8,10H2,1H3,(H2,16,17,18,19)

InChIKey

SAZVHJCXDDFMOS-UHFFFAOYSA-N

Compound name

N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 260.2001 Da
Monoisotopic Mass: 4.9
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]+	261.207376	162.8
[M+Na]+	283.189318	169.7
[M-H]-	259.192824	161.3
[M+NH4]+	278.233923	177.7
[M+K]+	299.163258	164.1
[M+H-H2O]+	243.197360	153.5
[M+HCOO]-	305.198301	183.1
[M+CH3COO]-	319.213951	198.0
[M+Na-2H]-	281.174766	168.7
[M]+	260.19955142	165.2
[M]-	260.20064858	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe