CID 71295786

(11c)ly 2428703

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂S

SMILES

C[C@@H]1C[C@H]1C(=O)NC2=C(C(=NS2)C3=CC=C(C=C3)O[11CH3])C

InChI

InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1/i3-1

InChIKey

HSEURPKENJFQMI-LBWXBEKWSA-N

Compound name

trans-(1R,2R)-N-[3-(4-(111C)methoxyphenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.12033 Da
Monoisotopic Mass: 3.4
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]+	302.127606	163.9
[M+Na]+	324.109548	174.1
[M-H]-	300.113054	173.8
[M+NH4]+	319.154153	175.7
[M+K]+	340.083488	168.7
[M+H-H2O]+	284.117590	156.7
[M+HCOO]-	346.118531	183.3
[M+CH3COO]-	360.134181	207.8
[M+Na-2H]-	322.094996	163.2
[M]+	301.11978142	170.7
[M]-	301.12087858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.