CID 3732532

N-(4-adamantan-1-yl-thiazol-2-yl)-n'-benzyl-oxalamide

Structural Information

Molecular Formula
C22H25N3O2S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=CC=C5
InChI
InChI=1S/C22H25N3O2S/c26-19(23-12-14-4-2-1-3-5-14)20(27)25-21-24-18(13-28-21)22-9-15-6-16(10-22)8-17(7-15)11-22/h1-5,13,15-17H,6-12H2,(H,23,26)(H,24,25,27)
InChIKey
YUCAPDVWDPWKMV-UHFFFAOYSA-N
Compound name
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

395.16675 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17403 179.6
[M+Na]+ 418.15597 179.2
[M-H]- 394.15947 178.3
[M+NH4]+ 413.20057 197.5
[M+K]+ 434.12991 175.5
[M+H-H2O]+ 378.16401 171.9
[M+HCOO]- 440.16495 182.5
[M+CH3COO]- 454.18060 185.2
[M+Na-2H]- 416.14142 187.5
[M]+ 395.16620 181.5
[M]- 395.16730 181.5
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.