CID 231361

Propiophenone semicarbazone

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CCC(=NNC(=O)N)C1=CC=CC=C1

InChI

InChI=1S/C10H13N3O/c1-2-9(12-13-10(11)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,13,14)

InChIKey

CIRHAKPWVMBBTB-UHFFFAOYSA-N

Compound name

(1-phenylpropylideneamino)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 191.10587 Da
Monoisotopic Mass: 1.3
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]+	192.113146	142.5
[M+Na]+	214.095088	147.5
[M-H]-	190.098594	146.8
[M+NH4]+	209.139693	161.2
[M+K]+	230.069028	146.1
[M+H-H2O]+	174.103130	135.3
[M+HCOO]-	236.104071	169.3
[M+CH3COO]-	250.119721	191.8
[M+Na-2H]-	212.080536	147.9
[M]+	191.10532142	139.9
[M]-	191.10641858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe