CID 15955537

Schembl6814946

Structural Information

Molecular Formula
C22H18FN5OS
SMILES
CC1=NC2=C(N1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F
InChI
InChI=1S/C22H18FN5OS/c1-13-24-19-11-10-16(12-20(19)25-13)28-22(30)27-15-8-6-14(7-9-15)26-21(29)17-4-2-3-5-18(17)23/h2-12H,1H3,(H,24,25)(H,26,29)(H2,27,28,30)
InChIKey
YOUBZFZCYZTYMC-UHFFFAOYSA-N
Compound name
2-fluoro-N-[4-[(2-methyl-3H-benzimidazol-5-yl)carbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

419.1216 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12888 194.4
[M+Na]+ 442.11082 202.2
[M-H]- 418.11432 200.8
[M+NH4]+ 437.15542 203.8
[M+K]+ 458.08476 193.6
[M+H-H2O]+ 402.11886 184.3
[M+HCOO]- 464.11980 211.0
[M+CH3COO]- 478.13545 202.9
[M+Na-2H]- 440.09627 196.8
[M]+ 419.12105 194.0
[M]- 419.12215 194.0
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