CID 389235

Nsc684988

Structural Information

Molecular Formula

C₁₇H₁₈N₂O₂S

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C

InChI

InChI=1S/C17H18N2O2S/c1-4-19(5-2)13-7-6-12-8-14(15-10-22-11(3)18-15)17(20)21-16(12)9-13/h6-10H,4-5H2,1-3H3

InChIKey

GOYGMLRWQGILHI-UHFFFAOYSA-N

Compound name

7-(diethylamino)-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 314.1089 Da
Monoisotopic Mass: 3.9
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]+	315.11618	172.3
[M+Na]+	337.09812	183.7
[M-H]-	313.10162	182.2
[M+NH4]+	332.14272	188.9
[M+K]+	353.07206	180.4
[M+H-H2O]+	297.10616	164.8
[M+HCOO]-	359.10710	192.7
[M+CH3COO]-	373.12275	185.7
[M+Na-2H]-	335.08357	175.0
[M]+	314.10835	181.2
[M]-	314.10945	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe