CID 215250

N-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(S2)NC3=CC=CC=C3
InChI
InChI=1S/C17H17N3O3S/c1-21-13-9-11(10-14(22-2)15(13)23-3)16-19-20-17(24-16)18-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,20)
InChIKey
IHQQQGSNZIZOSG-UHFFFAOYSA-N
Compound name
N-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.09906 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 178.9
[M+Na]+ 366.08828 193.0
[M+NH4]+ 361.13288 186.4
[M+K]+ 382.06222 185.6
[M-H]- 342.09178 184.4
[M+Na-2H]- 364.07373 187.9
[M]+ 343.09851 183.0
[M]- 343.09961 183.0
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.