CID 83023969

Methyl 2-{2-[(piperidin-1-yl)amino]-1,3-thiazol-4-yl}acetate

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
COC(=O)CC1=CSC(=N1)NN2CCCCC2
InChI
InChI=1S/C11H17N3O2S/c1-16-10(15)7-9-8-17-11(12-9)13-14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H,12,13)
InChIKey
ZDRWFYUVIQBTNS-UHFFFAOYSA-N
Compound name
methyl 2-[2-(piperidin-1-ylamino)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.111416 156.9
[M+Na]+ 278.093358 162.1
[M-H]- 254.096864 160.4
[M+NH4]+ 273.137963 172.9
[M+K]+ 294.067298 159.7
[M+H-H2O]+ 238.101400 148.8
[M+HCOO]- 300.102341 171.8
[M+CH3COO]- 314.117991 192.5
[M+Na-2H]- 276.078806 156.8
[M]+ 255.10359142 156.1
[M]- 255.10468858 156.1
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.