CID 2870818

N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-n-(furan-2-ylmethyl)oxamide

Structural Information

Molecular Formula
C20H23N3O3S
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=CO5
InChI
InChI=1S/C20H23N3O3S/c24-17(21-10-15-2-1-3-26-15)18(25)23-19-22-16(11-27-19)20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,11-14H,4-10H2,(H,21,24)(H,22,23,25)
InChIKey
JKRISFHMLDRVAS-UHFFFAOYSA-N
Compound name
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14603 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.153306 174.2
[M+Na]+ 408.135248 176.1
[M-H]- 384.138754 175.1
[M+NH4]+ 403.179853 193.6
[M+K]+ 424.109188 174.6
[M+H-H2O]+ 368.143290 168.9
[M+HCOO]- 430.144231 179.8
[M+CH3COO]- 444.159881 181.8
[M+Na-2H]- 406.120696 181.8
[M]+ 385.14548142 180.2
[M]- 385.14657858 180.2
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.