CID 3397880

1-(4-bromophenyl)-3-butylurea

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O

SMILES

CCCCNC(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H15BrN2O/c1-2-3-8-13-11(15)14-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H2,13,14,15)

InChIKey

HZVVVBAMBJDMHZ-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-3-butylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.03677 Da
Monoisotopic Mass: 2.9
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]+	271.04405	154.3
[M+Na]+	293.02599	155.7
[M+NH4]+	288.07059	158.4
[M+K]+	308.99993	155.3
[M-H]-	269.02949	155.4
[M+Na-2H]-	291.01144	157.2
[M]+	270.03622	153.4
[M]-	270.03732	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe