CID 3074636

5-glycidyloxy-2,4,5-triphenyl-delta(sup 2)-1,3,4-thiadiazoline

Structural Information

Molecular Formula

C₂₃H₂₀N₂O₂S

SMILES

C1C(O1)COC2(N(N=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N2O2S/c1-4-10-18(11-5-1)22-24-25(20-14-8-3-9-15-20)23(28-22,27-17-21-16-26-21)19-12-6-2-7-13-19/h1-15,21H,16-17H2

InChIKey

PAWCVWGLPBBJFI-UHFFFAOYSA-N

Compound name

2-(oxiran-2-ylmethoxy)-2,3,5-triphenyl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.12454 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.131816	186.3
[M+Na]+	411.113758	195.7
[M-H]-	387.117264	199.9
[M+NH4]+	406.158363	192.8
[M+K]+	427.087698	191.8
[M+H-H2O]+	371.121800	176.8
[M+HCOO]-	433.122741	202.9
[M+CH3COO]-	447.138391	196.4
[M+Na-2H]-	409.099206	188.4
[M]+	388.12399142	190.9
[M]-	388.12508858	190.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.