CID 15955579

Schembl6811280

Structural Information

Molecular Formula
C22H19BrFN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NCCOC3=CC=C(C=C3)Br)F
InChI
InChI=1S/C22H19BrFN3O2S/c23-15-5-11-18(12-6-15)29-14-13-25-22(30)27-17-9-7-16(8-10-17)26-21(28)19-3-1-2-4-20(19)24/h1-12H,13-14H2,(H,26,28)(H2,25,27,30)
InChIKey
GGIWKYPSZPRHCE-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-bromophenoxy)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

487.03653 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.04381 197.0
[M+Na]+ 510.02575 203.8
[M-H]- 486.02925 206.4
[M+NH4]+ 505.07035 207.3
[M+K]+ 525.99969 189.0
[M+H-H2O]+ 470.03379 191.7
[M+HCOO]- 532.03473 212.9
[M+CH3COO]- 546.05038 235.5
[M+Na-2H]- 508.01120 199.4
[M]+ 487.03598 214.6
[M]- 487.03708 214.6
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