CID 15953918

5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C16H13N3O2S
SMILES
C1=CC=C(C=C1)C(=NOCC2=NNC(=S)O2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O2S/c22-16-18-17-14(21-16)11-20-19-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,22)
InChIKey
CTCJVMIQERXTPK-UHFFFAOYSA-N
Compound name
5-[(benzhydrylideneamino)oxymethyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07285 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08013 169.7
[M+Na]+ 334.06207 177.9
[M-H]- 310.06557 178.0
[M+NH4]+ 329.10667 181.9
[M+K]+ 350.03601 173.2
[M+H-H2O]+ 294.07011 160.6
[M+HCOO]- 356.07105 188.2
[M+CH3COO]- 370.08670 180.9
[M+Na-2H]- 332.04752 172.8
[M]+ 311.07230 171.9
[M]- 311.07340 171.9
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

No patent data available for this compound.