CID 14387

Zolamine

Structural Information

Molecular Formula

C₁₅H₂₁N₃OS

SMILES

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CS2

InChI

InChI=1S/C15H21N3OS/c1-17(2)9-10-18(15-16-8-11-20-15)12-13-4-6-14(19-3)7-5-13/h4-8,11H,9-10,12H2,1-3H3

InChIKey

KYBJXENQEZJILU-UHFFFAOYSA-N

Compound name

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2661
Patents: 291.14053 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]+	292.14781	168.5
[M+Na]+	314.12975	174.4
[M-H]-	290.13325	176.6
[M+NH4]+	309.17435	185.7
[M+K]+	330.10369	172.7
[M+H-H2O]+	274.13779	159.5
[M+HCOO]-	336.13873	190.1
[M+CH3COO]-	350.15438	210.9
[M+Na-2H]-	312.11520	169.5
[M]+	291.13998	174.5
[M]-	291.14108	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe