CID 192375

Vz 564

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₃

SMILES

COC1=CC2=C(C=C1)C=C(CC2)CN(C(=O)N)O

InChI

InChI=1S/C13H16N2O3/c1-18-12-5-4-10-6-9(2-3-11(10)7-12)8-15(17)13(14)16/h4-7,17H,2-3,8H2,1H3,(H2,14,16)

InChIKey

CTGJXUUSOOOTRZ-UHFFFAOYSA-N

Compound name

1-hydroxy-1-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 248.11609 Da
Monoisotopic Mass: 0.8
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]+	249.12337	154.1
[M+Na]+	271.10531	159.8
[M-H]-	247.10881	157.9
[M+NH4]+	266.14991	171.4
[M+K]+	287.07925	158.2
[M+H-H2O]+	231.11335	147.1
[M+HCOO]-	293.11429	175.9
[M+CH3COO]-	307.12994	199.4
[M+Na-2H]-	269.09076	158.4
[M]+	248.11554	153.3
[M]-	248.11664	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe