CID 2870842

Mls000855861

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]+ 320.14272 165.4
[M+Na]+ 342.12466 166.4
[M-H]- 318.12816 161.6
[M+NH4]+ 337.16926 187.0
[M+K]+ 358.09860 164.1
[M+H-H2O]+ 302.13270 159.9
[M+HCOO]- 364.13364 168.6
[M+CH3COO]- 378.14929 172.4
[M+Na-2H]- 340.11011 173.6
[M]+ 319.13489 167.9
[M]- 319.13599 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.