CID 9912620

Schembl6814533

Structural Information

Molecular Formula
C24H23F2N3O3S
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3F)OC
InChI
InChI=1S/C24H23F2N3O3S/c1-14(15-8-10-16(25)11-9-15)27-24(33)29-20-13-21(31-2)19(12-22(20)32-3)28-23(30)17-6-4-5-7-18(17)26/h4-14H,1-3H3,(H,28,30)(H2,27,29,33)
InChIKey
ARPUOKDCCUBVPO-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2,5-dimethoxyphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

471.14282 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15010 210.9
[M+Na]+ 494.13204 215.5
[M-H]- 470.13554 217.5
[M+NH4]+ 489.17664 218.1
[M+K]+ 510.10598 209.7
[M+H-H2O]+ 454.14008 198.7
[M+HCOO]- 516.14102 226.5
[M+CH3COO]- 530.15667 243.1
[M+Na-2H]- 492.11749 208.1
[M]+ 471.14227 211.6
[M]- 471.14337 211.6
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