CID 10299114

Schembl6816835

Structural Information

Molecular Formula
C23H21ClFN3O3S
SMILES
COCCOC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C23H21ClFN3O3S/c1-30-12-13-31-21-11-10-17(14-19(21)24)28-23(32)27-16-8-6-15(7-9-16)26-22(29)18-4-2-3-5-20(18)25/h2-11,14H,12-13H2,1H3,(H,26,29)(H2,27,28,32)
InChIKey
BVTJJCYVXGLXHZ-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

473.09763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.10491 208.6
[M+Na]+ 496.08685 213.9
[M-H]- 472.09035 216.4
[M+NH4]+ 491.13145 216.7
[M+K]+ 512.06079 206.6
[M+H-H2O]+ 456.09489 198.3
[M+HCOO]- 518.09583 222.5
[M+CH3COO]- 532.11148 238.7
[M+Na-2H]- 494.07230 208.3
[M]+ 473.09708 212.7
[M]- 473.09818 212.7
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