CID 983319

Ethyl 2-(4-fluorobenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C21H23FN2O4S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O4S/c1-3-28-21(27)16-13(2)17(20(26)24-11-5-4-6-12-24)29-19(16)23-18(25)14-7-9-15(22)10-8-14/h7-10H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKey
STASMDFLWRZDON-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.13626 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14354 198.4
[M+Na]+ 441.12548 202.5
[M-H]- 417.12898 205.0
[M+NH4]+ 436.17008 208.8
[M+K]+ 457.09942 198.3
[M+H-H2O]+ 401.13352 189.0
[M+HCOO]- 463.13446 210.2
[M+CH3COO]- 477.15011 224.9
[M+Na-2H]- 439.11093 192.0
[M]+ 418.13571 198.3
[M]- 418.13681 198.3
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.