CID 728643

301226-86-8

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₃S

SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S/c1-2-20-12(18)8-11-9-21-14(16-11)17-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,16,17,19)

InChIKey

QFRSUAYVIOTVCF-UHFFFAOYSA-N

Compound name

ethyl 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 13
Patents: 305.0834 Da
Monoisotopic Mass: 2.0
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]+	306.09068	169.2
[M+Na]+	328.07262	175.0
[M-H]-	304.07612	174.8
[M+NH4]+	323.11722	184.2
[M+K]+	344.04656	171.7
[M+H-H2O]+	288.08066	160.8
[M+HCOO]-	350.08160	189.0
[M+CH3COO]-	364.09725	203.5
[M+Na-2H]-	326.05807	170.3
[M]+	305.08285	172.2
[M]-	305.08395	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe