CID 2870807

Stk528163

Structural Information

Molecular Formula
C19H28N4O2S
SMILES
CN(C)CCNC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H28N4O2S/c1-23(2)4-3-20-16(24)17(25)22-18-21-15(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKey
GCAHRTQBCDIBAR-UHFFFAOYSA-N
Compound name
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1933 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.200576 179.3
[M+Na]+ 399.182518 177.9
[M-H]- 375.186024 175.7
[M+NH4]+ 394.227123 198.6
[M+K]+ 415.156458 176.6
[M+H-H2O]+ 359.190560 173.1
[M+HCOO]- 421.191501 182.6
[M+CH3COO]- 435.207151 184.9
[M+Na-2H]- 397.167966 186.6
[M]+ 376.19275142 183.0
[M]- 376.19384858 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.