CID 11820833

Ethyl 2-[4-[2-[4-[(e)-ethoxyiminomethyl]phenoxy]ethyl]-1-piperidyl]thiazole-4-carboxylate

Structural Information

Molecular Formula
C22H29N3O4S
SMILES
CCOC(=O)C1=CSC(=N1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OCC
InChI
InChI=1S/C22H29N3O4S/c1-3-27-21(26)20-16-30-22(24-20)25-12-9-17(10-13-25)11-14-28-19-7-5-18(6-8-19)15-23-29-4-2/h5-8,15-17H,3-4,9-14H2,1-2H3/b23-15+
InChIKey
KCRBSPYYGJVEDG-HZHRSRAPSA-N
Compound name
ethyl 2-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.18787 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19515 203.7
[M+Na]+ 454.17709 207.3
[M-H]- 430.18059 211.0
[M+NH4]+ 449.22169 212.9
[M+K]+ 470.15103 203.3
[M+H-H2O]+ 414.18513 193.1
[M+HCOO]- 476.18607 218.5
[M+CH3COO]- 490.20172 228.3
[M+Na-2H]- 452.16254 200.3
[M]+ 431.18732 208.6
[M]- 431.18842 208.6
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.