CID 15955654

Schembl6815787

Structural Information

Molecular Formula
C27H21F2N3OS
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C27H21F2N3OS/c28-20-12-10-19(11-13-20)25(18-6-2-1-3-7-18)32-27(34)31-22-16-14-21(15-17-22)30-26(33)23-8-4-5-9-24(23)29/h1-17,25H,(H,30,33)(H2,31,32,34)
InChIKey
QGETXAOCPVGMCM-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[[(4-fluorophenyl)-phenylmethyl]carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

473.13733 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.14461 210.2
[M+Na]+ 496.12655 213.8
[M-H]- 472.13005 218.9
[M+NH4]+ 491.17115 216.3
[M+K]+ 512.10049 205.3
[M+H-H2O]+ 456.13459 197.3
[M+HCOO]- 518.13553 225.8
[M+CH3COO]- 532.15118 216.5
[M+Na-2H]- 494.11200 209.9
[M]+ 473.13678 206.0
[M]- 473.13788 206.0
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