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 177.6
[M+Na]+ 366.08828 187.1
[M-H]- 342.09178 186.0
[M+NH4]+ 361.13288 190.6
[M+K]+ 382.06222 182.4
[M+H-H2O]+ 326.09632 168.3
[M+HCOO]- 388.09726 197.3
[M+CH3COO]- 402.11291 211.3
[M+Na-2H]- 364.07373 179.1
[M]+ 343.09851 184.4
[M]- 343.09961 184.4
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.