CID 15955708

Schembl6815661

Structural Information

Molecular Formula
C24H24FN3OS
SMILES
CC(C)(C)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C24H24FN3OS/c1-24(2,3)16-7-6-8-19(15-16)28-23(30)27-18-13-11-17(12-14-18)26-22(29)20-9-4-5-10-21(20)25/h4-15H,1-3H3,(H,26,29)(H2,27,28,30)
InChIKey
ZJWNSCAMQAORGX-UHFFFAOYSA-N
Compound name
N-[4-[(3-tert-butylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

421.1624 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16968 201.0
[M+Na]+ 444.15162 205.3
[M-H]- 420.15512 208.7
[M+NH4]+ 439.19622 210.4
[M+K]+ 460.12556 198.3
[M+H-H2O]+ 404.15966 190.4
[M+HCOO]- 466.16060 217.0
[M+CH3COO]- 480.17625 232.4
[M+Na-2H]- 442.13707 201.8
[M]+ 421.16185 199.2
[M]- 421.16295 199.2
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