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

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]+	390.12708	192.6
[M+Na]+	412.10902	202.3
[M-H]-	388.11252	205.0
[M+NH4]+	407.15362	203.9
[M+K]+	428.08296	195.7
[M+H-H2O]+	372.11706	181.7
[M+HCOO]-	434.11800	213.3
[M+CH3COO]-	448.13365	203.6
[M+Na-2H]-	410.09447	193.9
[M]+	389.11925	197.8
[M]-	389.12035	197.8

Literature stripe

literature stripe

Patent stripe

patents stripe