CID 15955518

Schembl6815541

Structural Information

Molecular Formula
C20H17FN4OS
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)N)F
InChI
InChI=1S/C20H17FN4OS/c21-18-7-2-1-6-17(18)19(26)23-14-8-10-15(11-9-14)24-20(27)25-16-5-3-4-13(22)12-16/h1-12H,22H2,(H,23,26)(H2,24,25,27)
InChIKey
MXDFQVKHONLKLY-UHFFFAOYSA-N
Compound name
N-[4-[(3-aminophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

380.11072 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11800 185.9
[M+Na]+ 403.09994 190.9
[M-H]- 379.10344 193.5
[M+NH4]+ 398.14454 196.2
[M+K]+ 419.07388 183.6
[M+H-H2O]+ 363.10798 175.3
[M+HCOO]- 425.10892 205.2
[M+CH3COO]- 439.12457 225.8
[M+Na-2H]- 401.08539 187.6
[M]+ 380.11017 181.9
[M]- 380.11127 181.9
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