CID 15955661

Schembl6815868

Structural Information

Molecular Formula
C22H19BrFN3OS
SMILES
CC(C1=CC(=CC=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H19BrFN3OS/c1-14(15-5-4-6-16(23)13-15)25-22(29)27-18-11-9-17(10-12-18)26-21(28)19-7-2-3-8-20(19)24/h2-14H,1H3,(H,26,28)(H2,25,27,29)
InChIKey
LVJGIQGHPJNMNE-UHFFFAOYSA-N
Compound name
N-[4-[1-(3-bromophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

471.04163 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.04891 195.1
[M+Na]+ 494.03085 201.9
[M-H]- 470.03435 204.6
[M+NH4]+ 489.07545 206.1
[M+K]+ 510.00479 187.1
[M+H-H2O]+ 454.03889 190.3
[M+HCOO]- 516.03983 209.9
[M+CH3COO]- 530.05548 234.3
[M+Na-2H]- 492.01630 196.3
[M]+ 471.04108 211.0
[M]- 471.04218 211.0
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