CID 57118

96654-23-8

Structural Information

Molecular Formula

C₁₁H₁₆N₄O₂

SMILES

CC(CC1=CC=CC=C1)NNC(=O)C(=O)NN

InChI

InChI=1S/C11H16N4O2/c1-8(7-9-5-3-2-4-6-9)14-15-11(17)10(16)13-12/h2-6,8,14H,7,12H2,1H3,(H,13,16)(H,15,17)

InChIKey

WQVAJBGZOKZPLI-UHFFFAOYSA-N

Compound name

2-N'-(1-phenylpropan-2-yl)ethanedihydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.12732 Da
Monoisotopic Mass: 1.8
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]+	237.134596	153.8
[M+Na]+	259.116538	156.8
[M-H]-	235.120044	156.6
[M+NH4]+	254.161143	169.5
[M+K]+	275.090478	155.6
[M+H-H2O]+	219.124580	145.9
[M+HCOO]-	281.125521	179.0
[M+CH3COO]-	295.141171	200.2
[M+Na-2H]-	257.101986	157.4
[M]+	236.12677142	149.7
[M]-	236.12786858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.