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 165.2
[M+Na]+ 318.08828 174.9
[M-H]- 294.09178 170.5
[M+NH4]+ 313.13288 180.7
[M+K]+ 334.06222 171.8
[M+H-H2O]+ 278.09632 157.1
[M+HCOO]- 340.09726 184.7
[M+CH3COO]- 354.11291 203.6
[M+Na-2H]- 316.07373 166.1
[M]+ 295.09851 173.1
[M]- 295.09961 173.1
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.