CID 15955741

Schembl6814677

Structural Information

Molecular Formula
C20H15FN4O3S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])F
InChI
InChI=1S/C20H15FN4O3S/c21-18-7-2-1-6-17(18)19(26)22-13-8-10-14(11-9-13)23-20(29)24-15-4-3-5-16(12-15)25(27)28/h1-12H,(H,22,26)(H2,23,24,29)
InChIKey
JBJVVMJVXXCKJJ-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(3-nitrophenyl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

410.0849 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09218 188.6
[M+Na]+ 433.07412 191.4
[M-H]- 409.07762 196.1
[M+NH4]+ 428.11872 196.6
[M+K]+ 449.04806 181.0
[M+H-H2O]+ 393.08216 181.8
[M+HCOO]- 455.08310 208.1
[M+CH3COO]- 469.09875 221.7
[M+Na-2H]- 431.05957 192.6
[M]+ 410.08435 184.1
[M]- 410.08545 184.1
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