CID 145913400

2377035-10-2

Structural Information

Molecular Formula

C₁₅H₂₁ClN₄O₃

SMILES

CC(C)(C)OC(=O)NC1CCCN(C1)C(=O)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C15H21ClN4O3/c1-15(2,3)23-14(22)17-10-5-4-8-20(9-10)13(21)11-6-7-12(16)19-18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,22)

InChIKey

ITBHSABWPRGRIO-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.13022 Da
Monoisotopic Mass: 1.9
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]+	341.137496	178.9
[M+Na]+	363.119438	184.1
[M-H]-	339.122944	180.9
[M+NH4]+	358.164043	188.7
[M+K]+	379.093378	180.6
[M+H-H2O]+	323.127480	169.8
[M+HCOO]-	385.128421	188.6
[M+CH3COO]-	399.144071	209.2
[M+Na-2H]-	361.104886	181.1
[M]+	340.12967142	178.6
[M]-	340.13076858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.