CID 2815765

Maybridge3_003134

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂S

SMILES

CCCSC1=C(C=CC=N1)C(=O)NC2=C(ON=C2C)C

InChI

InChI=1S/C14H17N3O2S/c1-4-8-20-14-11(6-5-7-15-14)13(18)16-12-9(2)17-19-10(12)3/h5-7H,4,8H2,1-3H3,(H,16,18)

InChIKey

ZOKXGWUKUZECNQ-UHFFFAOYSA-N

Compound name

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 291.10416 Da
Monoisotopic Mass: 2.7
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]+	292.111436	167.5
[M+Na]+	314.093378	176.5
[M-H]-	290.096884	173.2
[M+NH4]+	309.137983	181.7
[M+K]+	330.067318	173.4
[M+H-H2O]+	274.101420	159.5
[M+HCOO]-	336.102361	184.9
[M+CH3COO]-	350.118011	202.7
[M+Na-2H]-	312.078826	167.8
[M]+	291.10361142	173.2
[M]-	291.10470858	173.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.