CID 165340741

1391738-68-3

Structural Information

Molecular Formula

C₁₁H₁₄ClN₅O₂

SMILES

CC(C)(C)OC(=O)NCC1=NN=C2N1C=CN=C2Cl

InChI

InChI=1S/C11H14ClN5O2/c1-11(2,3)19-10(18)14-6-7-15-16-9-8(12)13-4-5-17(7)9/h4-5H,6H2,1-3H3,(H,14,18)

InChIKey

FITLNNNMHJYXGE-UHFFFAOYSA-N

Compound name

tert-butyl N-[(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.0836 Da
Monoisotopic Mass: 1.6
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]+	284.090876	163.9
[M+Na]+	306.072818	174.8
[M-H]-	282.076324	164.1
[M+NH4]+	301.117423	178.3
[M+K]+	322.046758	170.8
[M+H-H2O]+	266.080860	155.6
[M+HCOO]-	328.081801	178.8
[M+CH3COO]-	342.097451	198.9
[M+Na-2H]-	304.058266	170.7
[M]+	283.08305142	170.0
[M]-	283.08414858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.