CID 10110895

Jnj-10229570

Structural Information

Molecular Formula
C22H19N3O2S
SMILES
COC1=CC=CC=C1C2=NC(=NC3=CC=CC=C3)SN2C4=CC=CC=C4OC
InChI
InChI=1S/C22H19N3O2S/c1-26-19-14-8-6-12-17(19)21-24-22(23-16-10-4-3-5-11-16)28-25(21)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3
InChIKey
XTHRTBCPBWJYRO-UHFFFAOYSA-N
Compound name
2,3-bis(2-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

389.1198 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12708 191.4
[M+Na]+ 412.10902 208.5
[M+NH4]+ 407.15362 199.8
[M+K]+ 428.08296 198.5
[M-H]- 388.11252 200.2
[M+Na-2H]- 410.09447 204.1
[M]+ 389.11925 197.1
[M]- 389.12035 197.1
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

patents stripe