CID 3061019

Brn 5574243

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

CC(C)OC(=O)NC1=NCC(CN1)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2/c1-10(2)19-14(18)17-13-15-8-12(9-16-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,17,18)

InChIKey

QUIBJXWUZRLGAQ-UHFFFAOYSA-N

Compound name

propan-2-yl N-(5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 261.14774 Da
Monoisotopic Mass: 1.8
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]+	262.155016	162.0
[M+Na]+	284.136958	166.0
[M-H]-	260.140464	163.9
[M+NH4]+	279.181563	174.5
[M+K]+	300.110898	162.8
[M+H-H2O]+	244.145000	152.9
[M+HCOO]-	306.145941	179.1
[M+CH3COO]-	320.161591	194.7
[M+Na-2H]-	282.122406	165.1
[M]+	261.14719142	157.7
[M]-	261.14828858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe