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]+ 344.106336 177.6
[M+Na]+ 366.088278 187.1
[M-H]- 342.091784 186.0
[M+NH4]+ 361.132883 190.6
[M+K]+ 382.062218 182.4
[M+H-H2O]+ 326.096320 168.3
[M+HCOO]- 388.097261 197.3
[M+CH3COO]- 402.112911 211.3
[M+Na-2H]- 364.073726 179.1
[M]+ 343.09851142 184.4
[M]- 343.09960858 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.