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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13182 194.1
[M+Na]+ 411.11376 212.3
[M+NH4]+ 406.15836 205.0
[M+K]+ 427.08770 202.0
[M-H]- 387.11726 211.1
[M+Na-2H]- 409.09921 209.6
[M]+ 388.12399 203.7
[M]- 388.12509 203.7
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.