CID 2870748

302904-46-7

Structural Information

Molecular Formula
C17H22N2O3S
SMILES
CCOC(=O)C(=O)NC1=NC(=CS1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H22N2O3S/c1-2-22-15(21)14(20)19-16-18-13(9-23-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,2-8H2,1H3,(H,18,19,20)
InChIKey
QJMPOMNVNXBJHZ-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1351 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14238 172.2
[M+Na]+ 357.12432 173.2
[M-H]- 333.12782 168.3
[M+NH4]+ 352.16892 193.3
[M+K]+ 373.09826 171.1
[M+H-H2O]+ 317.13236 166.5
[M+HCOO]- 379.13330 174.1
[M+CH3COO]- 393.14895 178.9
[M+Na-2H]- 355.10977 179.0
[M]+ 334.13455 176.8
[M]- 334.13565 176.8
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.