CID 2404793

1171150-66-5

Structural Information

Molecular Formula
C16H23ClN2O3S
SMILES
CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CCl
InChI
InChI=1S/C16H23ClN2O3S/c1-6-22-14(21)11-9-7-15(2,3)19-16(4,5)12(9)23-13(11)18-10(20)8-17/h19H,6-8H2,1-5H3,(H,18,20)
InChIKey
WMOIQBLMYOUIEH-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1118 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11908 177.2
[M+Na]+ 381.10102 185.3
[M-H]- 357.10452 179.0
[M+NH4]+ 376.14562 196.5
[M+K]+ 397.07496 180.4
[M+H-H2O]+ 341.10906 174.3
[M+HCOO]- 403.11000 184.6
[M+CH3COO]- 417.12565 211.7
[M+Na-2H]- 379.08647 176.8
[M]+ 358.11125 182.6
[M]- 358.11235 182.6
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.