CID 1051901

373375-70-3

Structural Information

Molecular Formula
C22H20FNO4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)COC3=CC=CC=C3F
InChI
InChI=1S/C22H20FNO4S/c1-3-27-22(26)20-16(15-10-8-14(2)9-11-15)13-29-21(20)24-19(25)12-28-18-7-5-4-6-17(18)23/h4-11,13H,3,12H2,1-2H3,(H,24,25)
InChIKey
QYVSTSQSQKGCIP-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1097 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11698 197.9
[M+Na]+ 436.09892 204.7
[M-H]- 412.10242 206.8
[M+NH4]+ 431.14352 210.2
[M+K]+ 452.07286 199.8
[M+H-H2O]+ 396.10696 188.5
[M+HCOO]- 458.10790 215.8
[M+CH3COO]- 472.12355 224.4
[M+Na-2H]- 434.08437 194.4
[M]+ 413.10915 203.1
[M]- 413.11025 203.1
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.