CID 135411096

Chembl210332

Structural Information

Molecular Formula
C16H15N5O2S
SMILES
C1CC(C1)C2=CN=C(O2)NC(=S)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C16H15N5O2S/c22-14-13(10-6-1-2-7-11(10)18-14)20-21-16(24)19-15-17-8-12(23-15)9-4-3-5-9/h1-2,6-9,18,22H,3-5H2,(H,17,19,24)
InChIKey
YCNHVVTXNSOUOZ-UHFFFAOYSA-N
Compound name
1-(5-cyclobutyl-1,3-oxazol-2-yl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.09464 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10192 172.7
[M+Na]+ 364.08386 178.2
[M-H]- 340.08736 182.0
[M+NH4]+ 359.12846 179.9
[M+K]+ 380.05780 178.1
[M+H-H2O]+ 324.09190 158.3
[M+HCOO]- 386.09284 191.4
[M+CH3COO]- 400.10849 182.9
[M+Na-2H]- 362.06931 174.4
[M]+ 341.09409 183.5
[M]- 341.09519 183.6
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.