CID 2813487

Maybridge3_002657

Structural Information

Molecular Formula

C₁₄H₁₇N₃OS

SMILES

CC1=C(SN=N1)C(=O)N(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C14H17N3OS/c1-10(2)17(9-12-7-5-4-6-8-12)14(18)13-11(3)15-16-19-13/h4-8,10H,9H2,1-3H3

InChIKey

ZENNPRLFFLOUAU-UHFFFAOYSA-N

Compound name

N-benzyl-4-methyl-N-propan-2-ylthiadiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 4
Patents: 275.10922 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]+	276.116496	163.7
[M+Na]+	298.098438	170.8
[M-H]-	274.101944	169.6
[M+NH4]+	293.143043	179.9
[M+K]+	314.072378	168.3
[M+H-H2O]+	258.106480	155.2
[M+HCOO]-	320.107421	181.2
[M+CH3COO]-	334.123071	202.5
[M+Na-2H]-	296.083886	163.2
[M]+	275.10867142	167.5
[M]-	275.10976858	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe