CID 9820008

Vidofludimus

Structural Information

Molecular Formula
C20H18FNO4
SMILES
COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F
InChI
InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKey
XPRDUGXOWVXZLL-UHFFFAOYSA-N
Compound name
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

41
References

1256
Patents

355.12198 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12926 181.3
[M+Na]+ 378.11120 187.2
[M-H]- 354.11470 188.8
[M+NH4]+ 373.15580 194.4
[M+K]+ 394.08514 183.0
[M+H-H2O]+ 338.11924 172.2
[M+HCOO]- 400.12018 201.9
[M+CH3COO]- 414.13583 213.9
[M+Na-2H]- 376.09665 179.4
[M]+ 355.12143 180.2
[M]- 355.12253 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe