CID 2870880

Cambridge id 5813811

Structural Information

Molecular Formula
C21H24N4O2S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=CC=N5
InChI
InChI=1S/C21H24N4O2S/c26-18(23-11-16-3-1-2-4-22-16)19(27)25-20-24-17(12-28-20)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,12-15H,5-11H2,(H,23,26)(H,24,25,27)
InChIKey
HXIMYOURFIMZIK-UHFFFAOYSA-N
Compound name
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(pyridin-2-ylmethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

396.162 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.169276 177.7
[M+Na]+ 419.151218 177.8
[M-H]- 395.154724 175.4
[M+NH4]+ 414.195823 194.3
[M+K]+ 435.125158 174.4
[M+H-H2O]+ 379.159260 169.5
[M+HCOO]- 441.160201 179.9
[M+CH3COO]- 455.175851 183.2
[M+Na-2H]- 417.136666 186.4
[M]+ 396.16145142 180.0
[M]- 396.16254858 180.0
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.