CID 57027

Brn 2705448

Structural Information

Molecular Formula

C₁₂H₁₇N₅O₃

SMILES

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

InChI

InChI=1S/C12H17N5O3/c13-16-11(19)12(20)17-14-8-4-7-10(18)15-9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8,13H2,(H,15,18)(H,16,19)(H,17,20)

InChIKey

IRUKJGJDLZGRJM-UHFFFAOYSA-N

Compound name

4-[2-(2-hydrazinyl-2-oxoacetyl)hydrazinyl]-N-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.13315 Da
Monoisotopic Mass: 0.5
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]+	280.140426	161.7
[M+Na]+	302.122368	163.5
[M-H]-	278.125874	164.2
[M+NH4]+	297.166973	175.0
[M+K]+	318.096308	162.4
[M+H-H2O]+	262.130410	152.8
[M+HCOO]-	324.131351	187.8
[M+CH3COO]-	338.147001	209.6
[M+Na-2H]-	300.107816	165.3
[M]+	279.13260142	157.7
[M]-	279.13369858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.