CID 132355378

H3b-120

Structural Information

Molecular Formula

C₁₉H₂₄N₄O₂S

SMILES

CC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)

InChIKey

ZEVOZXRSCSSPAO-UHFFFAOYSA-N

Compound name

1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 0
Patents: 372.162 Da
Monoisotopic Mass: 2.3
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]+	373.169276	188.4
[M+Na]+	395.151218	191.6
[M-H]-	371.154724	196.2
[M+NH4]+	390.195823	199.7
[M+K]+	411.125158	188.1
[M+H-H2O]+	355.159260	178.6
[M+HCOO]-	417.160201	202.8
[M+CH3COO]-	431.175851	220.4
[M+Na-2H]-	393.136666	185.7
[M]+	372.16145142	187.4
[M]-	372.16254858	187.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.