CID 11641179

[5-chloro-2-[(6-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)methoxy]phenyl]-phenyl-methanone

Structural Information

Molecular Formula
C24H17ClN4O2S
SMILES
C1C(=NN2C(=NN=C2S1)COC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H17ClN4O2S/c25-18-11-12-21(19(13-18)23(30)17-9-5-2-6-10-17)31-14-22-26-27-24-29(22)28-20(15-32-24)16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKey
ZNIAGGDGOMMOKM-UHFFFAOYSA-N
Compound name
[5-chloro-2-[(6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)methoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.07608 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08336 205.9
[M+Na]+ 483.06530 215.3
[M-H]- 459.06880 214.4
[M+NH4]+ 478.10990 212.3
[M+K]+ 499.03924 206.7
[M+H-H2O]+ 443.07334 194.1
[M+HCOO]- 505.07428 213.4
[M+CH3COO]- 519.08993 213.8
[M+Na-2H]- 481.05075 205.8
[M]+ 460.07553 210.5
[M]- 460.07663 210.5
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.