CID 2870800

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

Structural Information

Molecular Formula
C19H27N3O2S
SMILES
CCCCNC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H27N3O2S/c1-2-3-4-20-16(23)17(24)22-18-21-15(11-25-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,2-10H2,1H3,(H,20,23)(H,21,22,24)
InChIKey
SSTXDSSRVXIZCZ-UHFFFAOYSA-N
Compound name
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-butyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1824 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.189676 178.1
[M+Na]+ 384.171618 177.6
[M-H]- 360.175124 173.5
[M+NH4]+ 379.216223 197.8
[M+K]+ 400.145558 174.7
[M+H-H2O]+ 344.179660 172.0
[M+HCOO]- 406.180601 180.1
[M+CH3COO]- 420.196251 183.7
[M+Na-2H]- 382.157066 184.8
[M]+ 361.18185142 181.3
[M]- 361.18294858 181.3
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.