CID 235545

Dtxsid701036259

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

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

InChI

InChI=1S/C10H11N3O/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)

InChIKey

PZZOBYAGIHBRPI-UHFFFAOYSA-N

Compound name

(cinnamylideneamino)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 189.09021 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]+	190.097486	140.6
[M+Na]+	212.079428	146.2
[M-H]-	188.082934	144.8
[M+NH4]+	207.124033	159.4
[M+K]+	228.053368	143.7
[M+H-H2O]+	172.087470	133.3
[M+HCOO]-	234.088411	168.6
[M+CH3COO]-	248.104061	189.3
[M+Na-2H]-	210.064876	147.3
[M]+	189.08966142	137.9
[M]-	189.09075858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe