CID 3055292

72239-31-7

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂S

SMILES

C1CSC(=N1)NCC2=CC=C(C=C2)Br

InChI

InChI=1S/C10H11BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)

InChIKey

WQZBFPFJYHBVHE-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.98264 Da
Monoisotopic Mass: 2.4
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]+	270.98992	144.1
[M+Na]+	292.97186	155.8
[M-H]-	268.97536	152.5
[M+NH4]+	288.01646	165.3
[M+K]+	308.94580	143.7
[M+H-H2O]+	252.97990	143.6
[M+HCOO]-	314.98084	162.0
[M+CH3COO]-	328.99649	159.1
[M+Na-2H]-	290.95731	149.2
[M]+	269.98209	162.6
[M]-	269.98319	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe