CID 11688498

Chembl206685

Structural Information

Molecular Formula
C16H19N5OS
SMILES
C/C(=N\NC(=S)NC1=NC=C(O1)C2CCC2)/C3=CC=C(C=C3)N
InChI
InChI=1S/C16H19N5OS/c1-10(11-5-7-13(17)8-6-11)20-21-16(23)19-15-18-9-14(22-15)12-3-2-4-12/h5-9,12H,2-4,17H2,1H3,(H2,18,19,21,23)/b20-10+
InChIKey
FCDYQKRXRJQIMC-KEBDBYFISA-N
Compound name
1-[(E)-1-(4-aminophenyl)ethylideneamino]-3-(5-cyclobutyl-1,3-oxazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.13104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13832 178.7
[M+Na]+ 352.12026 180.2
[M-H]- 328.12376 187.5
[M+NH4]+ 347.16486 184.2
[M+K]+ 368.09420 180.7
[M+H-H2O]+ 312.12830 161.9
[M+HCOO]- 374.12924 196.6
[M+CH3COO]- 388.14489 219.3
[M+Na-2H]- 350.10571 178.0
[M]+ 329.13049 185.1
[M]- 329.13159 185.1
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.