CID 153920

Amicarbazone

Structural Information

Molecular Formula

C₁₀H₁₉N₅O₂

SMILES

CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C

InChI

InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)

InChIKey

ORFPWVRKFLOQHK-UHFFFAOYSA-N

Compound name

4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 5
References: 21460
Patents: 241.15387 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]+	242.161146	157.4
[M+Na]+	264.143088	165.8
[M-H]-	240.146594	157.9
[M+NH4]+	259.187693	172.7
[M+K]+	280.117028	164.5
[M+H-H2O]+	224.151130	150.1
[M+HCOO]-	286.152071	177.1
[M+CH3COO]-	300.167721	198.1
[M+Na-2H]-	262.128536	158.9
[M]+	241.15332142	157.9
[M]-	241.15441858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe