CID 215248

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

Structural Information

Molecular Formula
C13H17N3O3S
SMILES
CCNC1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C13H17N3O3S/c1-5-14-13-16-15-12(20-13)8-6-9(17-2)11(19-4)10(7-8)18-3/h6-7H,5H2,1-4H3,(H,14,16)
InChIKey
OHISBGLPBCUMAJ-UHFFFAOYSA-N
Compound name
N-ethyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10634 167.6
[M+Na]+ 318.08828 179.4
[M+NH4]+ 313.13288 174.4
[M+K]+ 334.06222 173.4
[M-H]- 294.09178 170.2
[M+Na-2H]- 316.07373 173.2
[M]+ 295.09851 170.4
[M]- 295.09961 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.