CID 118531131

1622426-23-6

Structural Information

Molecular Formula

C₁₃H₂₂N₄O₃

SMILES

CC(C)(C)OC(=O)N(C)CCN(C)C(=O)N1C=CC=N1

InChI

InChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16(5)10-9-15(4)11(18)17-8-6-7-14-17/h6-8H,9-10H2,1-5H3

InChIKey

YEPRRJPGFVACBT-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-[2-[methyl(pyrazole-1-carbonyl)amino]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 282.1692 Da
Monoisotopic Mass: 1.0
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]+	283.17648	165.4
[M+Na]+	305.15842	171.5
[M+NH4]+	300.20302	169.6
[M+K]+	321.13236	171.7
[M-H]-	281.16192	164.0
[M+Na-2H]-	303.14387	168.1
[M]+	282.16865	165.3
[M]-	282.16975	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe