CID 487672

3-[(diphenylamino)methyl]-5-(4-pyridyl)-1,3,4-oxadiazoline-2-thione

Structural Information

Molecular Formula
C20H16N4OS
SMILES
C1=CC=C(C=C1)N(CN2C(=S)OC(=N2)C3=CC=NC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4OS/c26-20-24(22-19(25-20)16-11-13-21-14-12-16)15-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKey
GEDTWGRGHRARPU-UHFFFAOYSA-N
Compound name
3-[(N-phenylanilino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11178 183.2
[M+Na]+ 383.09372 192.4
[M-H]- 359.09722 194.6
[M+NH4]+ 378.13832 192.5
[M+K]+ 399.06766 186.6
[M+H-H2O]+ 343.10176 172.2
[M+HCOO]- 405.10270 201.3
[M+CH3COO]- 419.11835 194.0
[M+Na-2H]- 381.07917 186.1
[M]+ 360.10395 186.1
[M]- 360.10505 186.1
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.