CID 15954841

Schembl6815158

Structural Information

Molecular Formula
C17H18FN3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)F
InChI
InChI=1S/C17H18FN3O3S/c1-10(22)19-11-4-6-12(7-5-11)20-17(25)21-14-8-13(18)15(23-2)9-16(14)24-3/h4-9H,1-3H3,(H,19,22)(H2,20,21,25)
InChIKey
CHOAFNBZWWGXLN-UHFFFAOYSA-N
Compound name
N-[4-[(5-fluoro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

363.1053 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11258 182.6
[M+Na]+ 386.09452 188.5
[M-H]- 362.09802 188.1
[M+NH4]+ 381.13912 194.8
[M+K]+ 402.06846 184.1
[M+H-H2O]+ 346.10256 172.9
[M+HCOO]- 408.10350 201.3
[M+CH3COO]- 422.11915 221.7
[M+Na-2H]- 384.07997 182.5
[M]+ 363.10475 184.6
[M]- 363.10585 184.6
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

patents stripe