CID 11501710

Chembl207679

Structural Information

Molecular Formula
C21H20N4OS
SMILES
C1CC(C1)C2=CN=C(O2)NC(=S)NN=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4OS/c27-21(23-20-22-14-18(26-20)15-12-7-13-15)25-24-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H2,22,23,25,27)
InChIKey
PAWGVMNWWLXUQJ-UHFFFAOYSA-N
Compound name
1-(benzhydrylideneamino)-3-(5-cyclobutyl-1,3-oxazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.13577 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14305 185.7
[M+Na]+ 399.12499 187.2
[M-H]- 375.12849 197.4
[M+NH4]+ 394.16959 189.4
[M+K]+ 415.09893 186.5
[M+H-H2O]+ 359.13303 168.6
[M+HCOO]- 421.13397 203.5
[M+CH3COO]- 435.14962 194.0
[M+Na-2H]- 397.11044 186.5
[M]+ 376.13522 192.8
[M]- 376.13632 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.