CID 86367

Cyprodinil

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)

InChIKey

HAORKNGNJCEJBX-UHFFFAOYSA-N

Compound name

4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 104
References: 54885
Patents: 225.1266 Da
Monoisotopic Mass: 3.1
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]+	226.133876	153.7
[M+Na]+	248.115818	163.3
[M-H]-	224.119324	161.4
[M+NH4]+	243.160423	164.2
[M+K]+	264.089758	157.9
[M+H-H2O]+	208.123860	144.3
[M+HCOO]-	270.124801	177.3
[M+CH3COO]-	284.140451	165.5
[M+Na-2H]-	246.101266	160.9
[M]+	225.12605142	154.7
[M]-	225.12714858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe