CID 2870842

333760-00-2

Structural Information

Molecular Formula
C16H21N3O2S
SMILES
CNC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H21N3O2S/c1-17-13(20)14(21)19-15-18-12(8-22-15)16-5-9-2-10(6-16)4-11(3-9)7-16/h8-11H,2-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKey
OTPWOWYFRWWHFF-UHFFFAOYSA-N
Compound name
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

319.13544 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.142716 165.4
[M+Na]+ 342.124658 166.4
[M-H]- 318.128164 161.6
[M+NH4]+ 337.169263 187.0
[M+K]+ 358.098598 164.1
[M+H-H2O]+ 302.132700 159.9
[M+HCOO]- 364.133641 168.6
[M+CH3COO]- 378.149291 172.4
[M+Na-2H]- 340.110106 173.6
[M]+ 319.13489142 167.9
[M]- 319.13598858 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.